USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A -2 GLY N :NH3+ 180:sc= 0.806 (180deg=0) USER MOD Set 1.2: B 102 C O2' : rot 160:sc= 1.84 USER MOD Single : A 0 HIS : no HD1:sc= -0.013 X(o=-0.013,f=-0.34) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 1.49 K(o=1.5,f=-3.1!) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= 1.25 (180deg=1.18) USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.546 K(o=0.55,f=-0.063) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc=-0.00146 USER MOD Single : A 40 LYS NZ :NH3+ -158:sc= 1.29 (180deg=1.24) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.014) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 28:sc= 0.0853 USER MOD Single : A 74 ASN : amide:sc= 0.733 K(o=0.73,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc=-0.00501 K(o=-0.005,f=-0.79) USER MOD Single : B 101 A O2' : rot -20:sc= 1.32 USER MOD Single : B 101 A O5' : rot 180:sc= 0 USER MOD Single : B 103 A O2' : rot 21:sc= 0.0382 USER MOD Single : B 104 U O2' : rot -160:sc= 0.903 USER MOD Single : B 105 C O2' : rot -12:sc= 0.0614 USER MOD Single : B 106 A O2' : rot 180:sc= 0 USER MOD Single : B 106 A O3' : rot 129:sc= 0.157 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 31.805 29.605 45.003 1.00 0.00 N ATOM 2 CA GLY A -2 32.780 30.626 45.437 1.00 0.00 C ATOM 3 C GLY A -2 32.162 32.019 45.443 1.00 0.00 C ATOM 4 O GLY A -2 31.000 32.178 45.816 1.00 0.00 O ATOM 0 H1 GLY A -2 32.257 28.668 45.010 1.00 0.00 H new ATOM 0 H2 GLY A -2 30.993 29.602 45.653 1.00 0.00 H new ATOM 0 H3 GLY A -2 31.478 29.824 44.040 1.00 0.00 H new ATOM 0 HA2 GLY A -2 33.143 30.383 46.436 1.00 0.00 H new ATOM 0 HA3 GLY A -2 33.644 30.612 44.772 1.00 0.00 H new ATOM 10 N SER A -1 32.935 33.034 45.038 1.00 0.00 N ATOM 11 CA SER A -1 32.495 34.437 44.923 1.00 0.00 C ATOM 12 C SER A -1 33.247 35.182 43.807 1.00 0.00 C ATOM 13 O SER A -1 34.333 34.763 43.391 1.00 0.00 O ATOM 14 CB SER A -1 32.660 35.148 46.274 1.00 0.00 C ATOM 15 OG SER A -1 32.082 36.442 46.242 1.00 0.00 O ATOM 0 H SER A -1 33.911 32.902 44.773 1.00 0.00 H new ATOM 0 HA SER A -1 31.440 34.442 44.649 1.00 0.00 H new ATOM 0 HB2 SER A -1 32.191 34.556 47.060 1.00 0.00 H new ATOM 0 HB3 SER A -1 33.719 35.225 46.521 1.00 0.00 H new ATOM 0 HG SER A -1 32.198 36.874 47.114 1.00 0.00 H new ATOM 21 N HIS A 0 32.666 36.277 43.301 1.00 0.00 N ATOM 22 CA HIS A 0 33.209 37.083 42.196 1.00 0.00 C ATOM 23 C HIS A 0 34.475 37.880 42.580 1.00 0.00 C ATOM 24 O HIS A 0 34.847 37.975 43.755 1.00 0.00 O ATOM 25 CB HIS A 0 32.100 38.001 41.646 1.00 0.00 C ATOM 26 CG HIS A 0 31.700 39.128 42.571 1.00 0.00 C ATOM 27 ND1 HIS A 0 32.394 40.330 42.732 1.00 0.00 N ATOM 28 CD2 HIS A 0 30.604 39.140 43.386 1.00 0.00 C ATOM 29 CE1 HIS A 0 31.701 41.039 43.642 1.00 0.00 C ATOM 30 NE2 HIS A 0 30.624 40.347 44.050 1.00 0.00 N ATOM 0 H HIS A 0 31.781 36.638 43.657 1.00 0.00 H new ATOM 0 HA HIS A 0 33.536 36.397 41.414 1.00 0.00 H new ATOM 0 HB2 HIS A 0 32.435 38.426 40.700 1.00 0.00 H new ATOM 0 HB3 HIS A 0 31.220 37.396 41.430 1.00 0.00 H new ATOM 0 HD2 HIS A 0 29.867 38.357 43.490 1.00 0.00 H new ATOM 0 HE1 HIS A 0 31.972 42.023 43.994 1.00 0.00 H new ATOM 0 HE2 HIS A 0 29.937 40.662 44.735 1.00 0.00 H new ATOM 38 N MET A 1 35.144 38.457 41.577 1.00 0.00 N ATOM 39 CA MET A 1 36.356 39.277 41.735 1.00 0.00 C ATOM 40 C MET A 1 36.461 40.354 40.636 1.00 0.00 C ATOM 41 O MET A 1 35.772 40.279 39.614 1.00 0.00 O ATOM 42 CB MET A 1 37.600 38.364 41.735 1.00 0.00 C ATOM 43 CG MET A 1 38.637 38.820 42.773 1.00 0.00 C ATOM 44 SD MET A 1 40.236 37.968 42.684 1.00 0.00 S ATOM 45 CE MET A 1 40.987 38.852 41.291 1.00 0.00 C ATOM 0 H MET A 1 34.852 38.366 40.604 1.00 0.00 H new ATOM 0 HA MET A 1 36.297 39.801 42.689 1.00 0.00 H new ATOM 0 HB2 MET A 1 37.299 37.338 41.947 1.00 0.00 H new ATOM 0 HB3 MET A 1 38.052 38.365 40.743 1.00 0.00 H new ATOM 0 HG2 MET A 1 38.805 39.890 42.651 1.00 0.00 H new ATOM 0 HG3 MET A 1 38.220 38.675 43.769 1.00 0.00 H new ATOM 0 HE1 MET A 1 41.982 38.451 41.100 1.00 0.00 H new ATOM 0 HE2 MET A 1 40.368 38.725 40.403 1.00 0.00 H new ATOM 0 HE3 MET A 1 41.063 39.912 41.532 1.00 0.00 H new ATOM 55 N VAL A 2 37.347 41.334 40.826 1.00 0.00 N ATOM 56 CA VAL A 2 37.643 42.418 39.867 1.00 0.00 C ATOM 57 C VAL A 2 39.158 42.555 39.642 1.00 0.00 C ATOM 58 O VAL A 2 39.949 42.359 40.564 1.00 0.00 O ATOM 59 CB VAL A 2 36.960 43.735 40.299 1.00 0.00 C ATOM 60 CG1 VAL A 2 37.475 44.289 41.636 1.00 0.00 C ATOM 61 CG2 VAL A 2 37.102 44.832 39.238 1.00 0.00 C ATOM 0 H VAL A 2 37.901 41.403 41.679 1.00 0.00 H new ATOM 0 HA VAL A 2 37.218 42.161 38.897 1.00 0.00 H new ATOM 0 HB VAL A 2 35.911 43.465 40.421 1.00 0.00 H new ATOM 0 HG11 VAL A 2 36.949 45.214 41.873 1.00 0.00 H new ATOM 0 HG12 VAL A 2 37.298 43.558 42.425 1.00 0.00 H new ATOM 0 HG13 VAL A 2 38.544 44.488 41.560 1.00 0.00 H new ATOM 0 HG21 VAL A 2 36.607 45.739 39.584 1.00 0.00 H new ATOM 0 HG22 VAL A 2 38.159 45.038 39.067 1.00 0.00 H new ATOM 0 HG23 VAL A 2 36.641 44.500 38.308 1.00 0.00 H new ATOM 71 N ILE A 3 39.559 42.856 38.399 1.00 0.00 N ATOM 72 CA ILE A 3 40.964 42.916 37.949 1.00 0.00 C ATOM 73 C ILE A 3 41.234 44.205 37.152 1.00 0.00 C ATOM 74 O ILE A 3 42.159 44.949 37.480 1.00 0.00 O ATOM 75 CB ILE A 3 41.334 41.637 37.146 1.00 0.00 C ATOM 76 CG1 ILE A 3 41.172 40.366 38.015 1.00 0.00 C ATOM 77 CG2 ILE A 3 42.771 41.732 36.591 1.00 0.00 C ATOM 78 CD1 ILE A 3 41.413 39.041 37.278 1.00 0.00 C ATOM 0 H ILE A 3 38.897 43.072 37.653 1.00 0.00 H new ATOM 0 HA ILE A 3 41.611 42.947 38.826 1.00 0.00 H new ATOM 0 HB ILE A 3 40.645 41.563 36.305 1.00 0.00 H new ATOM 0 HG12 ILE A 3 41.864 40.428 38.855 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.165 40.355 38.431 1.00 0.00 H new ATOM 0 HG21 ILE A 3 43.006 40.826 36.033 1.00 0.00 H new ATOM 0 HG22 ILE A 3 42.850 42.595 35.930 1.00 0.00 H new ATOM 0 HG23 ILE A 3 43.474 41.842 37.417 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.276 38.210 37.970 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.704 38.948 36.455 1.00 0.00 H new ATOM 0 HD13 ILE A 3 42.430 39.023 36.885 1.00 0.00 H new ATOM 90 N ARG A 4 40.420 44.473 36.118 1.00 0.00 N ATOM 91 CA ARG A 4 40.426 45.689 35.278 1.00 0.00 C ATOM 92 C ARG A 4 39.128 45.788 34.473 1.00 0.00 C ATOM 93 O ARG A 4 38.648 44.779 33.961 1.00 0.00 O ATOM 94 CB ARG A 4 41.646 45.660 34.325 1.00 0.00 C ATOM 95 CG ARG A 4 42.720 46.695 34.708 1.00 0.00 C ATOM 96 CD ARG A 4 44.123 46.238 34.286 1.00 0.00 C ATOM 97 NE ARG A 4 44.615 45.160 35.172 1.00 0.00 N ATOM 98 CZ ARG A 4 45.613 44.327 34.936 1.00 0.00 C ATOM 99 NH1 ARG A 4 46.294 44.352 33.823 1.00 0.00 N ATOM 100 NH2 ARG A 4 45.952 43.442 35.827 1.00 0.00 N ATOM 0 H ARG A 4 39.699 43.813 35.827 1.00 0.00 H new ATOM 0 HA ARG A 4 40.498 46.564 35.924 1.00 0.00 H new ATOM 0 HB2 ARG A 4 42.087 44.663 34.335 1.00 0.00 H new ATOM 0 HB3 ARG A 4 41.311 45.850 33.305 1.00 0.00 H new ATOM 0 HG2 ARG A 4 42.490 47.650 34.235 1.00 0.00 H new ATOM 0 HG3 ARG A 4 42.699 46.860 35.785 1.00 0.00 H new ATOM 0 HD2 ARG A 4 44.100 45.885 33.255 1.00 0.00 H new ATOM 0 HD3 ARG A 4 44.810 47.083 34.318 1.00 0.00 H new ATOM 0 HE ARG A 4 44.131 45.048 36.063 1.00 0.00 H new ATOM 0 HH11 ARG A 4 46.062 45.031 33.098 1.00 0.00 H new ATOM 0 HH12 ARG A 4 47.058 43.692 33.678 1.00 0.00 H new ATOM 0 HH21 ARG A 4 45.447 43.389 36.712 1.00 0.00 H new ATOM 0 HH22 ARG A 4 46.723 42.801 35.641 1.00 0.00 H new ATOM 114 N GLU A 5 38.574 46.998 34.356 1.00 0.00 N ATOM 115 CA GLU A 5 37.393 47.343 33.526 1.00 0.00 C ATOM 116 C GLU A 5 36.113 46.510 33.805 1.00 0.00 C ATOM 117 O GLU A 5 35.218 46.436 32.960 1.00 0.00 O ATOM 118 CB GLU A 5 37.778 47.381 32.029 1.00 0.00 C ATOM 119 CG GLU A 5 38.927 48.360 31.727 1.00 0.00 C ATOM 120 CD GLU A 5 39.286 48.436 30.227 1.00 0.00 C ATOM 121 OE1 GLU A 5 38.385 48.336 29.356 1.00 0.00 O ATOM 122 OE2 GLU A 5 40.484 48.626 29.905 1.00 0.00 O ATOM 0 H GLU A 5 38.945 47.807 34.855 1.00 0.00 H new ATOM 0 HA GLU A 5 37.096 48.345 33.835 1.00 0.00 H new ATOM 0 HB2 GLU A 5 38.067 46.380 31.709 1.00 0.00 H new ATOM 0 HB3 GLU A 5 36.904 47.663 31.442 1.00 0.00 H new ATOM 0 HG2 GLU A 5 38.650 49.354 32.078 1.00 0.00 H new ATOM 0 HG3 GLU A 5 39.810 48.058 32.290 1.00 0.00 H new ATOM 129 N SER A 6 36.013 45.910 34.999 1.00 0.00 N ATOM 130 CA SER A 6 35.061 44.848 35.387 1.00 0.00 C ATOM 131 C SER A 6 35.211 43.526 34.601 1.00 0.00 C ATOM 132 O SER A 6 35.586 43.503 33.427 1.00 0.00 O ATOM 133 CB SER A 6 33.613 45.355 35.406 1.00 0.00 C ATOM 134 OG SER A 6 32.768 44.398 36.027 1.00 0.00 O ATOM 0 H SER A 6 36.630 46.165 35.770 1.00 0.00 H new ATOM 0 HA SER A 6 35.334 44.587 36.410 1.00 0.00 H new ATOM 0 HB2 SER A 6 33.558 46.302 35.943 1.00 0.00 H new ATOM 0 HB3 SER A 6 33.273 45.545 34.388 1.00 0.00 H new ATOM 0 HG SER A 6 31.847 44.732 36.036 1.00 0.00 H new ATOM 140 N VAL A 7 34.920 42.403 35.269 1.00 0.00 N ATOM 141 CA VAL A 7 35.144 41.025 34.780 1.00 0.00 C ATOM 142 C VAL A 7 33.805 40.279 34.634 1.00 0.00 C ATOM 143 O VAL A 7 33.638 39.145 35.088 1.00 0.00 O ATOM 144 CB VAL A 7 36.203 40.277 35.632 1.00 0.00 C ATOM 145 CG1 VAL A 7 36.761 39.045 34.902 1.00 0.00 C ATOM 146 CG2 VAL A 7 37.419 41.152 35.979 1.00 0.00 C ATOM 0 H VAL A 7 34.506 42.423 36.201 1.00 0.00 H new ATOM 0 HA VAL A 7 35.575 41.070 33.780 1.00 0.00 H new ATOM 0 HB VAL A 7 35.668 39.994 36.538 1.00 0.00 H new ATOM 0 HG11 VAL A 7 37.499 38.551 35.534 1.00 0.00 H new ATOM 0 HG12 VAL A 7 35.948 38.352 34.684 1.00 0.00 H new ATOM 0 HG13 VAL A 7 37.232 39.357 33.970 1.00 0.00 H new ATOM 0 HG21 VAL A 7 38.125 40.574 36.576 1.00 0.00 H new ATOM 0 HG22 VAL A 7 37.905 41.481 35.060 1.00 0.00 H new ATOM 0 HG23 VAL A 7 37.091 42.022 36.547 1.00 0.00 H new ATOM 156 N SER A 8 32.806 40.944 34.045 1.00 0.00 N ATOM 157 CA SER A 8 31.483 40.371 33.763 1.00 0.00 C ATOM 158 C SER A 8 31.577 39.224 32.744 1.00 0.00 C ATOM 159 O SER A 8 32.178 39.356 31.675 1.00 0.00 O ATOM 160 CB SER A 8 30.511 41.466 33.296 1.00 0.00 C ATOM 161 OG SER A 8 31.042 42.236 32.230 1.00 0.00 O ATOM 0 H SER A 8 32.895 41.915 33.744 1.00 0.00 H new ATOM 0 HA SER A 8 31.090 39.946 34.687 1.00 0.00 H new ATOM 0 HB2 SER A 8 29.575 41.007 32.979 1.00 0.00 H new ATOM 0 HB3 SER A 8 30.276 42.122 34.134 1.00 0.00 H new ATOM 0 HG SER A 8 30.391 42.919 31.964 1.00 0.00 H new ATOM 167 N ARG A 9 31.007 38.063 33.094 1.00 0.00 N ATOM 168 CA ARG A 9 31.147 36.806 32.341 1.00 0.00 C ATOM 169 C ARG A 9 29.960 35.863 32.531 1.00 0.00 C ATOM 170 O ARG A 9 29.517 35.655 33.660 1.00 0.00 O ATOM 171 CB ARG A 9 32.494 36.133 32.694 1.00 0.00 C ATOM 172 CG ARG A 9 32.708 35.834 34.189 1.00 0.00 C ATOM 173 CD ARG A 9 34.193 35.584 34.483 1.00 0.00 C ATOM 174 NE ARG A 9 34.450 35.627 35.934 1.00 0.00 N ATOM 175 CZ ARG A 9 35.612 35.751 36.541 1.00 0.00 C ATOM 176 NH1 ARG A 9 36.741 35.765 35.895 1.00 0.00 N ATOM 177 NH2 ARG A 9 35.661 35.845 37.839 1.00 0.00 N ATOM 0 H ARG A 9 30.424 37.968 33.925 1.00 0.00 H new ATOM 0 HA ARG A 9 31.148 37.050 31.279 1.00 0.00 H new ATOM 0 HB2 ARG A 9 32.571 35.198 32.139 1.00 0.00 H new ATOM 0 HB3 ARG A 9 33.304 36.776 32.349 1.00 0.00 H new ATOM 0 HG2 ARG A 9 32.349 36.671 34.788 1.00 0.00 H new ATOM 0 HG3 ARG A 9 32.123 34.961 34.478 1.00 0.00 H new ATOM 0 HD2 ARG A 9 34.490 34.614 34.084 1.00 0.00 H new ATOM 0 HD3 ARG A 9 34.801 36.335 33.978 1.00 0.00 H new ATOM 0 HE ARG A 9 33.632 35.552 36.539 1.00 0.00 H new ATOM 0 HH11 ARG A 9 36.748 35.678 34.879 1.00 0.00 H new ATOM 0 HH12 ARG A 9 37.619 35.863 36.405 1.00 0.00 H new ATOM 0 HH21 ARG A 9 34.800 35.823 38.385 1.00 0.00 H new ATOM 0 HH22 ARG A 9 36.561 35.941 38.310 1.00 0.00 H new ATOM 191 N ILE A 10 29.434 35.302 31.441 1.00 0.00 N ATOM 192 CA ILE A 10 28.352 34.303 31.482 1.00 0.00 C ATOM 193 C ILE A 10 28.883 32.993 32.069 1.00 0.00 C ATOM 194 O ILE A 10 30.022 32.610 31.799 1.00 0.00 O ATOM 195 CB ILE A 10 27.693 34.113 30.088 1.00 0.00 C ATOM 196 CG1 ILE A 10 26.816 35.354 29.792 1.00 0.00 C ATOM 197 CG2 ILE A 10 26.872 32.807 29.985 1.00 0.00 C ATOM 198 CD1 ILE A 10 25.829 35.211 28.628 1.00 0.00 C ATOM 0 H ILE A 10 29.745 35.526 30.496 1.00 0.00 H new ATOM 0 HA ILE A 10 27.559 34.665 32.136 1.00 0.00 H new ATOM 0 HB ILE A 10 28.481 34.020 29.340 1.00 0.00 H new ATOM 0 HG12 ILE A 10 26.253 35.601 30.692 1.00 0.00 H new ATOM 0 HG13 ILE A 10 27.473 36.199 29.585 1.00 0.00 H new ATOM 0 HG21 ILE A 10 26.436 32.729 28.989 1.00 0.00 H new ATOM 0 HG22 ILE A 10 27.524 31.952 30.163 1.00 0.00 H new ATOM 0 HG23 ILE A 10 26.076 32.818 30.730 1.00 0.00 H new ATOM 0 HD11 ILE A 10 25.268 36.138 28.511 1.00 0.00 H new ATOM 0 HD12 ILE A 10 26.377 35.000 27.710 1.00 0.00 H new ATOM 0 HD13 ILE A 10 25.139 34.393 28.835 1.00 0.00 H new ATOM 210 N TYR A 11 28.037 32.308 32.840 1.00 0.00 N ATOM 211 CA TYR A 11 28.233 30.948 33.339 1.00 0.00 C ATOM 212 C TYR A 11 27.234 29.981 32.682 1.00 0.00 C ATOM 213 O TYR A 11 26.096 30.351 32.366 1.00 0.00 O ATOM 214 CB TYR A 11 28.113 30.979 34.874 1.00 0.00 C ATOM 215 CG TYR A 11 27.647 29.694 35.529 1.00 0.00 C ATOM 216 CD1 TYR A 11 28.569 28.708 35.929 1.00 0.00 C ATOM 217 CD2 TYR A 11 26.273 29.497 35.758 1.00 0.00 C ATOM 218 CE1 TYR A 11 28.116 27.551 36.587 1.00 0.00 C ATOM 219 CE2 TYR A 11 25.811 28.335 36.403 1.00 0.00 C ATOM 220 CZ TYR A 11 26.740 27.359 36.828 1.00 0.00 C ATOM 221 OH TYR A 11 26.315 26.254 37.498 1.00 0.00 O ATOM 0 H TYR A 11 27.151 32.709 33.149 1.00 0.00 H new ATOM 0 HA TYR A 11 29.224 30.578 33.077 1.00 0.00 H new ATOM 0 HB2 TYR A 11 29.085 31.244 35.290 1.00 0.00 H new ATOM 0 HB3 TYR A 11 27.421 31.775 35.149 1.00 0.00 H new ATOM 0 HD1 TYR A 11 29.622 28.840 35.731 1.00 0.00 H new ATOM 0 HD2 TYR A 11 25.565 30.246 35.435 1.00 0.00 H new ATOM 0 HE1 TYR A 11 28.827 26.804 36.910 1.00 0.00 H new ATOM 0 HE2 TYR A 11 24.754 28.190 36.572 1.00 0.00 H new ATOM 0 HH TYR A 11 25.339 26.276 37.580 1.00 0.00 H new ATOM 231 N VAL A 12 27.635 28.717 32.515 1.00 0.00 N ATOM 232 CA VAL A 12 26.717 27.616 32.191 1.00 0.00 C ATOM 233 C VAL A 12 27.040 26.368 33.016 1.00 0.00 C ATOM 234 O VAL A 12 28.172 25.880 33.023 1.00 0.00 O ATOM 235 CB VAL A 12 26.613 27.360 30.673 1.00 0.00 C ATOM 236 CG1 VAL A 12 27.950 27.020 30.018 1.00 0.00 C ATOM 237 CG2 VAL A 12 25.607 26.249 30.336 1.00 0.00 C ATOM 0 H VAL A 12 28.609 28.426 32.601 1.00 0.00 H new ATOM 0 HA VAL A 12 25.712 27.920 32.484 1.00 0.00 H new ATOM 0 HB VAL A 12 26.263 28.308 30.265 1.00 0.00 H new ATOM 0 HG11 VAL A 12 27.801 26.853 28.951 1.00 0.00 H new ATOM 0 HG12 VAL A 12 28.646 27.846 30.162 1.00 0.00 H new ATOM 0 HG13 VAL A 12 28.359 26.118 30.473 1.00 0.00 H new ATOM 0 HG21 VAL A 12 25.570 26.107 29.256 1.00 0.00 H new ATOM 0 HG22 VAL A 12 25.917 25.320 30.814 1.00 0.00 H new ATOM 0 HG23 VAL A 12 24.619 26.531 30.699 1.00 0.00 H new ATOM 247 N GLY A 13 26.027 25.868 33.726 1.00 0.00 N ATOM 248 CA GLY A 13 26.079 24.684 34.579 1.00 0.00 C ATOM 249 C GLY A 13 25.713 23.398 33.847 1.00 0.00 C ATOM 250 O GLY A 13 24.753 23.375 33.068 1.00 0.00 O ATOM 0 H GLY A 13 25.103 26.301 33.720 1.00 0.00 H new ATOM 0 HA2 GLY A 13 27.083 24.586 34.992 1.00 0.00 H new ATOM 0 HA3 GLY A 13 25.400 24.821 35.421 1.00 0.00 H new ATOM 254 N ASN A 14 26.464 22.327 34.126 1.00 0.00 N ATOM 255 CA ASN A 14 26.207 20.960 33.648 1.00 0.00 C ATOM 256 C ASN A 14 26.029 20.882 32.115 1.00 0.00 C ATOM 257 O ASN A 14 25.121 20.211 31.625 1.00 0.00 O ATOM 258 CB ASN A 14 25.042 20.337 34.448 1.00 0.00 C ATOM 259 CG ASN A 14 25.246 20.386 35.953 1.00 0.00 C ATOM 260 OD1 ASN A 14 24.862 21.327 36.634 1.00 0.00 O ATOM 261 ND2 ASN A 14 25.860 19.373 36.526 1.00 0.00 N ATOM 0 H ASN A 14 27.297 22.388 34.711 1.00 0.00 H new ATOM 0 HA ASN A 14 27.093 20.354 33.838 1.00 0.00 H new ATOM 0 HB2 ASN A 14 24.119 20.860 34.197 1.00 0.00 H new ATOM 0 HB3 ASN A 14 24.914 19.299 34.140 1.00 0.00 H new ATOM 0 HD21 ASN A 14 26.014 19.374 37.534 1.00 0.00 H new ATOM 0 HD22 ASN A 14 26.182 18.586 35.962 1.00 0.00 H new ATOM 268 N LEU A 15 26.870 21.607 31.367 1.00 0.00 N ATOM 269 CA LEU A 15 26.783 21.784 29.908 1.00 0.00 C ATOM 270 C LEU A 15 26.911 20.461 29.111 1.00 0.00 C ATOM 271 O LEU A 15 27.506 19.500 29.616 1.00 0.00 O ATOM 272 CB LEU A 15 27.834 22.841 29.501 1.00 0.00 C ATOM 273 CG LEU A 15 29.307 22.403 29.645 1.00 0.00 C ATOM 274 CD1 LEU A 15 29.882 21.782 28.372 1.00 0.00 C ATOM 275 CD2 LEU A 15 30.160 23.625 29.960 1.00 0.00 C ATOM 0 H LEU A 15 27.660 22.106 31.775 1.00 0.00 H new ATOM 0 HA LEU A 15 25.785 22.136 29.649 1.00 0.00 H new ATOM 0 HB2 LEU A 15 27.657 23.123 28.463 1.00 0.00 H new ATOM 0 HB3 LEU A 15 27.678 23.735 30.105 1.00 0.00 H new ATOM 0 HG LEU A 15 29.327 21.654 30.437 1.00 0.00 H new ATOM 0 HD11 LEU A 15 30.920 21.497 28.543 1.00 0.00 H new ATOM 0 HD12 LEU A 15 29.302 20.899 28.104 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.834 22.507 27.560 1.00 0.00 H new ATOM 0 HD21 LEU A 15 31.203 23.324 30.063 1.00 0.00 H new ATOM 0 HD22 LEU A 15 30.070 24.350 29.151 1.00 0.00 H new ATOM 0 HD23 LEU A 15 29.819 24.077 30.891 1.00 0.00 H new ATOM 287 N PRO A 16 26.393 20.386 27.866 1.00 0.00 N ATOM 288 CA PRO A 16 26.464 19.172 27.049 1.00 0.00 C ATOM 289 C PRO A 16 27.904 18.883 26.583 1.00 0.00 C ATOM 290 O PRO A 16 28.535 19.703 25.911 1.00 0.00 O ATOM 291 CB PRO A 16 25.507 19.411 25.876 1.00 0.00 C ATOM 292 CG PRO A 16 25.519 20.930 25.706 1.00 0.00 C ATOM 293 CD PRO A 16 25.689 21.438 27.137 1.00 0.00 C ATOM 0 HA PRO A 16 26.174 18.287 27.615 1.00 0.00 H new ATOM 0 HB2 PRO A 16 25.846 18.904 24.973 1.00 0.00 H new ATOM 0 HB3 PRO A 16 24.506 19.040 26.094 1.00 0.00 H new ATOM 0 HG2 PRO A 16 26.336 21.257 25.063 1.00 0.00 H new ATOM 0 HG3 PRO A 16 24.594 21.293 25.257 1.00 0.00 H new ATOM 0 HD2 PRO A 16 26.256 22.369 27.154 1.00 0.00 H new ATOM 0 HD3 PRO A 16 24.721 21.646 27.593 1.00 0.00 H new ATOM 301 N SER A 17 28.416 17.697 26.930 1.00 0.00 N ATOM 302 CA SER A 17 29.780 17.233 26.619 1.00 0.00 C ATOM 303 C SER A 17 30.871 18.229 27.066 1.00 0.00 C ATOM 304 O SER A 17 31.013 18.478 28.265 1.00 0.00 O ATOM 305 CB SER A 17 29.892 16.781 25.150 1.00 0.00 C ATOM 306 OG SER A 17 28.942 15.765 24.863 1.00 0.00 O ATOM 0 H SER A 17 27.877 17.007 27.453 1.00 0.00 H new ATOM 0 HA SER A 17 29.974 16.346 27.221 1.00 0.00 H new ATOM 0 HB2 SER A 17 29.732 17.633 24.489 1.00 0.00 H new ATOM 0 HB3 SER A 17 30.898 16.411 24.954 1.00 0.00 H new ATOM 0 HG SER A 17 29.028 15.493 23.926 1.00 0.00 H new ATOM 312 N HIS A 18 31.657 18.790 26.134 1.00 0.00 N ATOM 313 CA HIS A 18 32.804 19.670 26.400 1.00 0.00 C ATOM 314 C HIS A 18 33.072 20.585 25.189 1.00 0.00 C ATOM 315 O HIS A 18 34.065 20.440 24.475 1.00 0.00 O ATOM 316 CB HIS A 18 34.031 18.828 26.820 1.00 0.00 C ATOM 317 CG HIS A 18 34.411 17.701 25.880 1.00 0.00 C ATOM 318 ND1 HIS A 18 33.749 16.474 25.764 1.00 0.00 N ATOM 319 CD2 HIS A 18 35.478 17.703 25.027 1.00 0.00 C ATOM 320 CE1 HIS A 18 34.424 15.772 24.839 1.00 0.00 C ATOM 321 NE2 HIS A 18 35.467 16.487 24.380 1.00 0.00 N ATOM 0 H HIS A 18 31.505 18.637 25.137 1.00 0.00 H new ATOM 0 HA HIS A 18 32.579 20.331 27.237 1.00 0.00 H new ATOM 0 HB2 HIS A 18 34.887 19.495 26.923 1.00 0.00 H new ATOM 0 HB3 HIS A 18 33.837 18.404 27.805 1.00 0.00 H new ATOM 0 HD2 HIS A 18 36.191 18.502 24.887 1.00 0.00 H new ATOM 0 HE1 HIS A 18 34.166 14.776 24.511 1.00 0.00 H new ATOM 0 HE2 HIS A 18 36.136 16.181 23.673 1.00 0.00 H new ATOM 329 N VAL A 19 32.139 21.507 24.926 1.00 0.00 N ATOM 330 CA VAL A 19 32.173 22.433 23.775 1.00 0.00 C ATOM 331 C VAL A 19 33.486 23.236 23.692 1.00 0.00 C ATOM 332 O VAL A 19 33.995 23.726 24.699 1.00 0.00 O ATOM 333 CB VAL A 19 30.924 23.344 23.783 1.00 0.00 C ATOM 334 CG1 VAL A 19 30.868 24.312 24.974 1.00 0.00 C ATOM 335 CG2 VAL A 19 30.810 24.167 22.494 1.00 0.00 C ATOM 0 H VAL A 19 31.318 21.638 25.518 1.00 0.00 H new ATOM 0 HA VAL A 19 32.147 21.831 22.866 1.00 0.00 H new ATOM 0 HB VAL A 19 30.087 22.651 23.867 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.963 24.917 24.909 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.859 23.744 25.904 1.00 0.00 H new ATOM 0 HG13 VAL A 19 31.742 24.963 24.955 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.919 24.794 22.540 1.00 0.00 H new ATOM 0 HG22 VAL A 19 31.692 24.798 22.386 1.00 0.00 H new ATOM 0 HG23 VAL A 19 30.737 23.495 21.639 1.00 0.00 H new ATOM 345 N SER A 20 34.048 23.364 22.486 1.00 0.00 N ATOM 346 CA SER A 20 35.309 24.087 22.243 1.00 0.00 C ATOM 347 C SER A 20 35.145 25.606 22.386 1.00 0.00 C ATOM 348 O SER A 20 34.130 26.173 21.971 1.00 0.00 O ATOM 349 CB SER A 20 35.861 23.767 20.851 1.00 0.00 C ATOM 350 OG SER A 20 36.101 22.374 20.719 1.00 0.00 O ATOM 0 H SER A 20 33.640 22.966 21.640 1.00 0.00 H new ATOM 0 HA SER A 20 36.012 23.748 23.004 1.00 0.00 H new ATOM 0 HB2 SER A 20 35.154 24.094 20.089 1.00 0.00 H new ATOM 0 HB3 SER A 20 36.786 24.319 20.685 1.00 0.00 H new ATOM 0 HG SER A 20 36.452 22.186 19.823 1.00 0.00 H new ATOM 356 N SER A 21 36.174 26.289 22.898 1.00 0.00 N ATOM 357 CA SER A 21 36.160 27.743 23.144 1.00 0.00 C ATOM 358 C SER A 21 35.863 28.568 21.883 1.00 0.00 C ATOM 359 O SER A 21 35.147 29.565 21.950 1.00 0.00 O ATOM 360 CB SER A 21 37.496 28.191 23.749 1.00 0.00 C ATOM 361 OG SER A 21 37.815 27.403 24.887 1.00 0.00 O ATOM 0 H SER A 21 37.055 25.845 23.158 1.00 0.00 H new ATOM 0 HA SER A 21 35.347 27.928 23.846 1.00 0.00 H new ATOM 0 HB2 SER A 21 38.287 28.102 23.004 1.00 0.00 H new ATOM 0 HB3 SER A 21 37.440 29.242 24.031 1.00 0.00 H new ATOM 0 HG SER A 21 38.671 27.700 25.261 1.00 0.00 H new ATOM 367 N ARG A 22 36.338 28.120 20.708 1.00 0.00 N ATOM 368 CA ARG A 22 36.084 28.774 19.408 1.00 0.00 C ATOM 369 C ARG A 22 34.613 28.721 18.979 1.00 0.00 C ATOM 370 O ARG A 22 34.141 29.626 18.290 1.00 0.00 O ATOM 371 CB ARG A 22 36.963 28.159 18.301 1.00 0.00 C ATOM 372 CG ARG A 22 38.486 28.311 18.514 1.00 0.00 C ATOM 373 CD ARG A 22 39.157 27.142 19.249 1.00 0.00 C ATOM 374 NE ARG A 22 39.065 25.882 18.482 1.00 0.00 N ATOM 375 CZ ARG A 22 39.461 24.682 18.869 1.00 0.00 C ATOM 376 NH1 ARG A 22 40.007 24.469 20.034 1.00 0.00 N ATOM 377 NH2 ARG A 22 39.311 23.655 18.080 1.00 0.00 N ATOM 0 H ARG A 22 36.916 27.283 20.631 1.00 0.00 H new ATOM 0 HA ARG A 22 36.344 29.823 19.549 1.00 0.00 H new ATOM 0 HB2 ARG A 22 36.727 27.098 18.219 1.00 0.00 H new ATOM 0 HB3 ARG A 22 36.697 28.619 17.349 1.00 0.00 H new ATOM 0 HG2 ARG A 22 38.964 28.432 17.542 1.00 0.00 H new ATOM 0 HG3 ARG A 22 38.670 29.227 19.075 1.00 0.00 H new ATOM 0 HD2 ARG A 22 40.205 27.381 19.430 1.00 0.00 H new ATOM 0 HD3 ARG A 22 38.687 27.009 20.224 1.00 0.00 H new ATOM 0 HE ARG A 22 38.650 25.946 17.552 1.00 0.00 H new ATOM 0 HH11 ARG A 22 40.142 25.244 20.684 1.00 0.00 H new ATOM 0 HH12 ARG A 22 40.299 23.528 20.296 1.00 0.00 H new ATOM 0 HH21 ARG A 22 38.887 23.776 17.160 1.00 0.00 H new ATOM 0 HH22 ARG A 22 39.618 22.730 18.382 1.00 0.00 H new ATOM 391 N ASP A 23 33.876 27.687 19.391 1.00 0.00 N ATOM 392 CA ASP A 23 32.452 27.532 19.073 1.00 0.00 C ATOM 393 C ASP A 23 31.586 28.467 19.930 1.00 0.00 C ATOM 394 O ASP A 23 30.749 29.191 19.391 1.00 0.00 O ATOM 395 CB ASP A 23 32.005 26.068 19.242 1.00 0.00 C ATOM 396 CG ASP A 23 32.742 25.049 18.353 1.00 0.00 C ATOM 397 OD1 ASP A 23 33.366 25.428 17.333 1.00 0.00 O ATOM 398 OD2 ASP A 23 32.660 23.834 18.658 1.00 0.00 O ATOM 0 H ASP A 23 34.252 26.928 19.959 1.00 0.00 H new ATOM 0 HA ASP A 23 32.315 27.811 18.028 1.00 0.00 H new ATOM 0 HB2 ASP A 23 32.142 25.782 20.285 1.00 0.00 H new ATOM 0 HB3 ASP A 23 30.937 26.004 19.031 1.00 0.00 H new ATOM 403 N VAL A 24 31.824 28.515 21.249 1.00 0.00 N ATOM 404 CA VAL A 24 31.129 29.464 22.140 1.00 0.00 C ATOM 405 C VAL A 24 31.533 30.914 21.865 1.00 0.00 C ATOM 406 O VAL A 24 30.676 31.788 21.924 1.00 0.00 O ATOM 407 CB VAL A 24 31.266 29.119 23.635 1.00 0.00 C ATOM 408 CG1 VAL A 24 30.500 27.835 23.963 1.00 0.00 C ATOM 409 CG2 VAL A 24 32.709 28.971 24.124 1.00 0.00 C ATOM 0 H VAL A 24 32.492 27.909 21.725 1.00 0.00 H new ATOM 0 HA VAL A 24 30.071 29.361 21.900 1.00 0.00 H new ATOM 0 HB VAL A 24 30.841 29.975 24.160 1.00 0.00 H new ATOM 0 HG11 VAL A 24 30.608 27.607 25.023 1.00 0.00 H new ATOM 0 HG12 VAL A 24 29.445 27.971 23.727 1.00 0.00 H new ATOM 0 HG13 VAL A 24 30.901 27.011 23.372 1.00 0.00 H new ATOM 0 HG21 VAL A 24 32.710 28.728 25.187 1.00 0.00 H new ATOM 0 HG22 VAL A 24 33.201 28.172 23.569 1.00 0.00 H new ATOM 0 HG23 VAL A 24 33.245 29.907 23.965 1.00 0.00 H new ATOM 419 N GLU A 25 32.781 31.189 21.470 1.00 0.00 N ATOM 420 CA GLU A 25 33.206 32.518 21.007 1.00 0.00 C ATOM 421 C GLU A 25 32.320 33.010 19.851 1.00 0.00 C ATOM 422 O GLU A 25 31.716 34.078 19.941 1.00 0.00 O ATOM 423 CB GLU A 25 34.694 32.479 20.605 1.00 0.00 C ATOM 424 CG GLU A 25 35.209 33.774 19.948 1.00 0.00 C ATOM 425 CD GLU A 25 36.680 33.691 19.483 1.00 0.00 C ATOM 426 OE1 GLU A 25 37.453 32.820 19.955 1.00 0.00 O ATOM 427 OE2 GLU A 25 37.083 34.524 18.635 1.00 0.00 O ATOM 0 H GLU A 25 33.528 30.495 21.462 1.00 0.00 H new ATOM 0 HA GLU A 25 33.089 33.231 21.823 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.292 32.273 21.492 1.00 0.00 H new ATOM 0 HB3 GLU A 25 34.850 31.649 19.916 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.579 34.012 19.091 1.00 0.00 H new ATOM 0 HG3 GLU A 25 35.107 34.596 20.656 1.00 0.00 H new ATOM 434 N ASN A 26 32.193 32.217 18.782 1.00 0.00 N ATOM 435 CA ASN A 26 31.410 32.599 17.606 1.00 0.00 C ATOM 436 C ASN A 26 29.887 32.573 17.832 1.00 0.00 C ATOM 437 O ASN A 26 29.166 33.312 17.159 1.00 0.00 O ATOM 438 CB ASN A 26 31.863 31.761 16.404 1.00 0.00 C ATOM 439 CG ASN A 26 33.208 32.243 15.891 1.00 0.00 C ATOM 440 OD1 ASN A 26 33.315 33.291 15.264 1.00 0.00 O ATOM 441 ND2 ASN A 26 34.279 31.533 16.160 1.00 0.00 N ATOM 0 H ASN A 26 32.628 31.297 18.709 1.00 0.00 H new ATOM 0 HA ASN A 26 31.612 33.649 17.394 1.00 0.00 H new ATOM 0 HB2 ASN A 26 31.932 30.712 16.691 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.120 31.825 15.609 1.00 0.00 H new ATOM 0 HD21 ASN A 26 35.195 31.854 15.848 1.00 0.00 H new ATOM 0 HD22 ASN A 26 34.195 30.660 16.681 1.00 0.00 H new ATOM 448 N GLU A 27 29.388 31.805 18.804 1.00 0.00 N ATOM 449 CA GLU A 27 27.999 31.906 19.273 1.00 0.00 C ATOM 450 C GLU A 27 27.747 33.232 20.022 1.00 0.00 C ATOM 451 O GLU A 27 26.796 33.954 19.718 1.00 0.00 O ATOM 452 CB GLU A 27 27.672 30.686 20.153 1.00 0.00 C ATOM 453 CG GLU A 27 26.204 30.580 20.596 1.00 0.00 C ATOM 454 CD GLU A 27 25.285 30.076 19.464 1.00 0.00 C ATOM 455 OE1 GLU A 27 25.017 30.833 18.500 1.00 0.00 O ATOM 456 OE2 GLU A 27 24.811 28.916 19.536 1.00 0.00 O ATOM 0 H GLU A 27 29.934 31.094 19.290 1.00 0.00 H new ATOM 0 HA GLU A 27 27.333 31.909 18.410 1.00 0.00 H new ATOM 0 HB2 GLU A 27 27.937 29.781 19.606 1.00 0.00 H new ATOM 0 HB3 GLU A 27 28.303 30.718 21.041 1.00 0.00 H new ATOM 0 HG2 GLU A 27 26.132 29.904 21.448 1.00 0.00 H new ATOM 0 HG3 GLU A 27 25.858 31.557 20.934 1.00 0.00 H new ATOM 463 N PHE A 28 28.619 33.591 20.973 1.00 0.00 N ATOM 464 CA PHE A 28 28.449 34.776 21.821 1.00 0.00 C ATOM 465 C PHE A 28 28.853 36.114 21.170 1.00 0.00 C ATOM 466 O PHE A 28 28.488 37.165 21.699 1.00 0.00 O ATOM 467 CB PHE A 28 29.084 34.545 23.203 1.00 0.00 C ATOM 468 CG PHE A 28 28.360 33.500 24.048 1.00 0.00 C ATOM 469 CD1 PHE A 28 27.005 33.682 24.390 1.00 0.00 C ATOM 470 CD2 PHE A 28 29.029 32.350 24.512 1.00 0.00 C ATOM 471 CE1 PHE A 28 26.325 32.732 25.173 1.00 0.00 C ATOM 472 CE2 PHE A 28 28.352 31.394 25.292 1.00 0.00 C ATOM 473 CZ PHE A 28 27.000 31.584 25.623 1.00 0.00 C ATOM 0 H PHE A 28 29.468 33.063 21.176 1.00 0.00 H new ATOM 0 HA PHE A 28 27.375 34.898 21.959 1.00 0.00 H new ATOM 0 HB2 PHE A 28 30.120 34.235 23.069 1.00 0.00 H new ATOM 0 HB3 PHE A 28 29.101 35.490 23.747 1.00 0.00 H new ATOM 0 HD1 PHE A 28 26.482 34.562 24.046 1.00 0.00 H new ATOM 0 HD2 PHE A 28 30.070 32.201 24.267 1.00 0.00 H new ATOM 0 HE1 PHE A 28 25.287 32.884 25.428 1.00 0.00 H new ATOM 0 HE2 PHE A 28 28.873 30.513 25.637 1.00 0.00 H new ATOM 0 HZ PHE A 28 26.481 30.850 26.221 1.00 0.00 H new ATOM 483 N ARG A 29 29.468 36.125 19.973 1.00 0.00 N ATOM 484 CA ARG A 29 29.666 37.346 19.147 1.00 0.00 C ATOM 485 C ARG A 29 28.360 38.106 18.841 1.00 0.00 C ATOM 486 O ARG A 29 28.396 39.325 18.663 1.00 0.00 O ATOM 487 CB ARG A 29 30.399 36.989 17.837 1.00 0.00 C ATOM 488 CG ARG A 29 31.925 36.905 18.027 1.00 0.00 C ATOM 489 CD ARG A 29 32.641 36.358 16.783 1.00 0.00 C ATOM 490 NE ARG A 29 32.658 37.321 15.666 1.00 0.00 N ATOM 491 CZ ARG A 29 32.976 37.063 14.408 1.00 0.00 C ATOM 492 NH1 ARG A 29 33.287 35.869 13.989 1.00 0.00 N ATOM 493 NH2 ARG A 29 32.988 38.022 13.529 1.00 0.00 N ATOM 0 H ARG A 29 29.848 35.282 19.542 1.00 0.00 H new ATOM 0 HA ARG A 29 30.278 38.023 19.743 1.00 0.00 H new ATOM 0 HB2 ARG A 29 30.028 36.034 17.464 1.00 0.00 H new ATOM 0 HB3 ARG A 29 30.170 37.738 17.079 1.00 0.00 H new ATOM 0 HG2 ARG A 29 32.314 37.896 18.261 1.00 0.00 H new ATOM 0 HG3 ARG A 29 32.147 36.266 18.881 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.666 36.094 17.045 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.149 35.441 16.459 1.00 0.00 H new ATOM 0 HE ARG A 29 32.398 38.283 15.886 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.292 35.085 14.641 1.00 0.00 H new ATOM 0 HH12 ARG A 29 33.525 35.719 13.009 1.00 0.00 H new ATOM 0 HH21 ARG A 29 32.752 38.974 13.809 1.00 0.00 H new ATOM 0 HH22 ARG A 29 33.233 37.822 12.559 1.00 0.00 H new ATOM 507 N LYS A 30 27.205 37.425 18.852 1.00 0.00 N ATOM 508 CA LYS A 30 25.849 38.016 18.796 1.00 0.00 C ATOM 509 C LYS A 30 25.547 38.964 19.974 1.00 0.00 C ATOM 510 O LYS A 30 24.816 39.940 19.810 1.00 0.00 O ATOM 511 CB LYS A 30 24.838 36.844 18.726 1.00 0.00 C ATOM 512 CG LYS A 30 23.377 37.198 19.069 1.00 0.00 C ATOM 513 CD LYS A 30 22.463 35.974 18.922 1.00 0.00 C ATOM 514 CE LYS A 30 21.090 36.250 19.548 1.00 0.00 C ATOM 515 NZ LYS A 30 20.186 35.075 19.429 1.00 0.00 N ATOM 0 H LYS A 30 27.183 36.406 18.902 1.00 0.00 H new ATOM 0 HA LYS A 30 25.770 38.648 17.912 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.864 36.426 17.720 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.171 36.060 19.406 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.321 37.577 20.090 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.029 37.996 18.413 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.345 35.726 17.867 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.922 35.110 19.403 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.215 36.508 20.600 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.634 37.111 19.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 19.359 35.210 20.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 19.871 34.978 18.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.695 34.215 19.716 1.00 0.00 H new ATOM 529 N TYR A 31 26.090 38.665 21.156 1.00 0.00 N ATOM 530 CA TYR A 31 25.773 39.313 22.431 1.00 0.00 C ATOM 531 C TYR A 31 26.714 40.503 22.706 1.00 0.00 C ATOM 532 O TYR A 31 26.291 41.503 23.287 1.00 0.00 O ATOM 533 CB TYR A 31 25.857 38.275 23.570 1.00 0.00 C ATOM 534 CG TYR A 31 24.927 37.063 23.488 1.00 0.00 C ATOM 535 CD1 TYR A 31 25.039 36.134 22.430 1.00 0.00 C ATOM 536 CD2 TYR A 31 23.987 36.820 24.510 1.00 0.00 C ATOM 537 CE1 TYR A 31 24.206 35.004 22.365 1.00 0.00 C ATOM 538 CE2 TYR A 31 23.159 35.681 24.460 1.00 0.00 C ATOM 539 CZ TYR A 31 23.256 34.779 23.381 1.00 0.00 C ATOM 540 OH TYR A 31 22.448 33.688 23.319 1.00 0.00 O ATOM 0 H TYR A 31 26.793 37.933 21.255 1.00 0.00 H new ATOM 0 HA TYR A 31 24.758 39.708 22.378 1.00 0.00 H new ATOM 0 HB2 TYR A 31 26.883 37.910 23.618 1.00 0.00 H new ATOM 0 HB3 TYR A 31 25.658 38.790 24.510 1.00 0.00 H new ATOM 0 HD1 TYR A 31 25.777 36.295 21.658 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.901 37.511 25.336 1.00 0.00 H new ATOM 0 HE1 TYR A 31 24.294 34.312 21.541 1.00 0.00 H new ATOM 0 HE2 TYR A 31 22.447 35.498 25.251 1.00 0.00 H new ATOM 0 HH TYR A 31 22.914 32.961 22.855 1.00 0.00 H new ATOM 550 N GLY A 32 27.974 40.407 22.261 1.00 0.00 N ATOM 551 CA GLY A 32 28.995 41.460 22.322 1.00 0.00 C ATOM 552 C GLY A 32 30.378 40.954 21.891 1.00 0.00 C ATOM 553 O GLY A 32 30.551 39.765 21.606 1.00 0.00 O ATOM 0 H GLY A 32 28.325 39.553 21.828 1.00 0.00 H new ATOM 0 HA2 GLY A 32 28.698 42.289 21.680 1.00 0.00 H new ATOM 0 HA3 GLY A 32 29.053 41.849 23.339 1.00 0.00 H new ATOM 557 N ASN A 33 31.385 41.831 21.858 1.00 0.00 N ATOM 558 CA ASN A 33 32.783 41.440 21.632 1.00 0.00 C ATOM 559 C ASN A 33 33.348 40.680 22.850 1.00 0.00 C ATOM 560 O ASN A 33 33.909 41.279 23.774 1.00 0.00 O ATOM 561 CB ASN A 33 33.637 42.670 21.275 1.00 0.00 C ATOM 562 CG ASN A 33 33.275 43.305 19.938 1.00 0.00 C ATOM 563 OD1 ASN A 33 33.169 42.642 18.913 1.00 0.00 O ATOM 564 ND2 ASN A 33 33.113 44.609 19.890 1.00 0.00 N ATOM 0 H ASN A 33 31.256 42.834 21.987 1.00 0.00 H new ATOM 0 HA ASN A 33 32.820 40.757 20.783 1.00 0.00 H new ATOM 0 HB2 ASN A 33 33.529 43.416 22.062 1.00 0.00 H new ATOM 0 HB3 ASN A 33 34.687 42.378 21.255 1.00 0.00 H new ATOM 0 HD21 ASN A 33 32.900 45.064 19.002 1.00 0.00 H new ATOM 0 HD22 ASN A 33 33.200 45.165 20.740 1.00 0.00 H new ATOM 571 N ILE A 34 33.201 39.353 22.846 1.00 0.00 N ATOM 572 CA ILE A 34 33.762 38.432 23.844 1.00 0.00 C ATOM 573 C ILE A 34 35.273 38.661 24.026 1.00 0.00 C ATOM 574 O ILE A 34 36.026 38.744 23.051 1.00 0.00 O ATOM 575 CB ILE A 34 33.372 36.967 23.510 1.00 0.00 C ATOM 576 CG1 ILE A 34 34.069 35.893 24.380 1.00 0.00 C ATOM 577 CG2 ILE A 34 33.481 36.615 22.013 1.00 0.00 C ATOM 578 CD1 ILE A 34 35.472 35.417 23.965 1.00 0.00 C ATOM 0 H ILE A 34 32.669 38.870 22.122 1.00 0.00 H new ATOM 0 HA ILE A 34 33.324 38.643 24.819 1.00 0.00 H new ATOM 0 HB ILE A 34 32.315 36.937 23.775 1.00 0.00 H new ATOM 0 HG12 ILE A 34 34.137 36.281 25.396 1.00 0.00 H new ATOM 0 HG13 ILE A 34 33.418 35.019 24.415 1.00 0.00 H new ATOM 0 HG21 ILE A 34 33.192 35.575 21.862 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.820 37.263 21.438 1.00 0.00 H new ATOM 0 HG23 ILE A 34 34.509 36.758 21.680 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.825 34.666 24.672 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.428 34.983 22.966 1.00 0.00 H new ATOM 0 HD13 ILE A 34 36.158 36.264 23.963 1.00 0.00 H new ATOM 590 N LEU A 35 35.708 38.788 25.285 1.00 0.00 N ATOM 591 CA LEU A 35 37.085 39.142 25.656 1.00 0.00 C ATOM 592 C LEU A 35 37.978 37.907 25.873 1.00 0.00 C ATOM 593 O LEU A 35 39.101 37.865 25.363 1.00 0.00 O ATOM 594 CB LEU A 35 37.062 40.057 26.896 1.00 0.00 C ATOM 595 CG LEU A 35 36.301 41.390 26.714 1.00 0.00 C ATOM 596 CD1 LEU A 35 36.325 42.185 28.018 1.00 0.00 C ATOM 597 CD2 LEU A 35 36.917 42.272 25.623 1.00 0.00 C ATOM 0 H LEU A 35 35.101 38.645 26.092 1.00 0.00 H new ATOM 0 HA LEU A 35 37.533 39.683 24.822 1.00 0.00 H new ATOM 0 HB2 LEU A 35 36.611 39.510 27.724 1.00 0.00 H new ATOM 0 HB3 LEU A 35 38.090 40.280 27.183 1.00 0.00 H new ATOM 0 HG LEU A 35 35.283 41.129 26.424 1.00 0.00 H new ATOM 0 HD11 LEU A 35 35.787 43.123 27.882 1.00 0.00 H new ATOM 0 HD12 LEU A 35 35.848 41.604 28.807 1.00 0.00 H new ATOM 0 HD13 LEU A 35 37.357 42.396 28.296 1.00 0.00 H new ATOM 0 HD21 LEU A 35 36.345 43.196 25.536 1.00 0.00 H new ATOM 0 HD22 LEU A 35 37.949 42.507 25.885 1.00 0.00 H new ATOM 0 HD23 LEU A 35 36.896 41.741 24.671 1.00 0.00 H new ATOM 609 N LYS A 36 37.479 36.894 26.598 1.00 0.00 N ATOM 610 CA LYS A 36 38.145 35.600 26.851 1.00 0.00 C ATOM 611 C LYS A 36 37.111 34.545 27.254 1.00 0.00 C ATOM 612 O LYS A 36 36.150 34.865 27.955 1.00 0.00 O ATOM 613 CB LYS A 36 39.237 35.784 27.938 1.00 0.00 C ATOM 614 CG LYS A 36 40.466 34.864 27.779 1.00 0.00 C ATOM 615 CD LYS A 36 40.395 33.489 28.469 1.00 0.00 C ATOM 616 CE LYS A 36 40.413 33.540 30.006 1.00 0.00 C ATOM 617 NZ LYS A 36 41.732 33.974 30.545 1.00 0.00 N ATOM 0 H LYS A 36 36.563 36.953 27.044 1.00 0.00 H new ATOM 0 HA LYS A 36 38.630 35.249 25.940 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.572 36.821 27.925 1.00 0.00 H new ATOM 0 HB3 LYS A 36 38.791 35.606 28.916 1.00 0.00 H new ATOM 0 HG2 LYS A 36 40.634 34.702 26.714 1.00 0.00 H new ATOM 0 HG3 LYS A 36 41.339 35.393 28.163 1.00 0.00 H new ATOM 0 HD2 LYS A 36 39.485 32.982 28.146 1.00 0.00 H new ATOM 0 HD3 LYS A 36 41.235 32.883 28.129 1.00 0.00 H new ATOM 0 HE2 LYS A 36 39.639 34.224 30.353 1.00 0.00 H new ATOM 0 HE3 LYS A 36 40.168 32.555 30.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 41.693 33.992 31.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 42.469 33.308 30.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.956 34.926 30.190 1.00 0.00 H new ATOM 631 N CYS A 37 37.289 33.295 26.834 1.00 0.00 N ATOM 632 CA CYS A 37 36.426 32.173 27.220 1.00 0.00 C ATOM 633 C CYS A 37 37.204 30.854 27.343 1.00 0.00 C ATOM 634 O CYS A 37 38.193 30.634 26.643 1.00 0.00 O ATOM 635 CB CYS A 37 35.246 32.068 26.243 1.00 0.00 C ATOM 636 SG CYS A 37 35.804 31.705 24.550 1.00 0.00 S ATOM 0 H CYS A 37 38.047 33.025 26.207 1.00 0.00 H new ATOM 0 HA CYS A 37 36.029 32.370 28.216 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.565 31.285 26.577 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.685 33.002 26.249 1.00 0.00 H new ATOM 0 HG CYS A 37 34.774 31.623 23.762 1.00 0.00 H new ATOM 642 N ASP A 38 36.760 29.984 28.257 1.00 0.00 N ATOM 643 CA ASP A 38 37.358 28.672 28.565 1.00 0.00 C ATOM 644 C ASP A 38 36.369 27.756 29.310 1.00 0.00 C ATOM 645 O ASP A 38 35.361 28.215 29.863 1.00 0.00 O ATOM 646 CB ASP A 38 38.629 28.861 29.420 1.00 0.00 C ATOM 647 CG ASP A 38 39.915 29.115 28.618 1.00 0.00 C ATOM 648 OD1 ASP A 38 40.192 28.374 27.644 1.00 0.00 O ATOM 649 OD2 ASP A 38 40.701 29.997 29.044 1.00 0.00 O ATOM 0 H ASP A 38 35.939 30.180 28.829 1.00 0.00 H new ATOM 0 HA ASP A 38 37.614 28.195 27.619 1.00 0.00 H new ATOM 0 HB2 ASP A 38 38.471 29.698 30.100 1.00 0.00 H new ATOM 0 HB3 ASP A 38 38.771 27.973 30.035 1.00 0.00 H new ATOM 654 N VAL A 39 36.679 26.455 29.347 1.00 0.00 N ATOM 655 CA VAL A 39 35.842 25.392 29.935 1.00 0.00 C ATOM 656 C VAL A 39 36.624 24.573 30.973 1.00 0.00 C ATOM 657 O VAL A 39 37.799 24.258 30.774 1.00 0.00 O ATOM 658 CB VAL A 39 35.232 24.488 28.839 1.00 0.00 C ATOM 659 CG1 VAL A 39 34.160 23.551 29.409 1.00 0.00 C ATOM 660 CG2 VAL A 39 34.594 25.317 27.714 1.00 0.00 C ATOM 0 H VAL A 39 37.550 26.096 28.955 1.00 0.00 H new ATOM 0 HA VAL A 39 35.016 25.873 30.458 1.00 0.00 H new ATOM 0 HB VAL A 39 36.058 23.899 28.440 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.755 22.932 28.609 1.00 0.00 H new ATOM 0 HG12 VAL A 39 34.604 22.912 30.173 1.00 0.00 H new ATOM 0 HG13 VAL A 39 33.358 24.142 29.852 1.00 0.00 H new ATOM 0 HG21 VAL A 39 34.176 24.648 26.962 1.00 0.00 H new ATOM 0 HG22 VAL A 39 33.801 25.941 28.127 1.00 0.00 H new ATOM 0 HG23 VAL A 39 35.352 25.951 27.254 1.00 0.00 H new ATOM 670 N LYS A 40 35.959 24.232 32.084 1.00 0.00 N ATOM 671 CA LYS A 40 36.488 23.518 33.259 1.00 0.00 C ATOM 672 C LYS A 40 35.638 22.279 33.577 1.00 0.00 C ATOM 673 O LYS A 40 34.513 22.148 33.084 1.00 0.00 O ATOM 674 CB LYS A 40 36.527 24.446 34.496 1.00 0.00 C ATOM 675 CG LYS A 40 37.158 25.838 34.310 1.00 0.00 C ATOM 676 CD LYS A 40 36.131 26.901 33.885 1.00 0.00 C ATOM 677 CE LYS A 40 36.719 28.315 33.865 1.00 0.00 C ATOM 678 NZ LYS A 40 36.895 28.874 35.230 1.00 0.00 N ATOM 0 H LYS A 40 34.971 24.462 32.196 1.00 0.00 H new ATOM 0 HA LYS A 40 37.503 23.200 33.020 1.00 0.00 H new ATOM 0 HB2 LYS A 40 35.505 24.583 34.849 1.00 0.00 H new ATOM 0 HB3 LYS A 40 37.071 23.931 35.288 1.00 0.00 H new ATOM 0 HG2 LYS A 40 37.630 26.147 35.243 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.946 25.778 33.559 1.00 0.00 H new ATOM 0 HD2 LYS A 40 35.750 26.656 32.894 1.00 0.00 H new ATOM 0 HD3 LYS A 40 35.282 26.874 34.568 1.00 0.00 H new ATOM 0 HE2 LYS A 40 37.682 28.298 33.355 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.065 28.969 33.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 36.930 29.912 35.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 36.096 28.584 35.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 37.782 28.518 35.639 1.00 0.00 H new ATOM 692 N LYS A 41 36.146 21.401 34.450 1.00 0.00 N ATOM 693 CA LYS A 41 35.398 20.273 35.040 1.00 0.00 C ATOM 694 C LYS A 41 35.785 20.013 36.499 1.00 0.00 C ATOM 695 O LYS A 41 36.930 20.258 36.889 1.00 0.00 O ATOM 696 CB LYS A 41 35.493 19.009 34.158 1.00 0.00 C ATOM 697 CG LYS A 41 36.778 18.162 34.278 1.00 0.00 C ATOM 698 CD LYS A 41 38.101 18.841 33.892 1.00 0.00 C ATOM 699 CE LYS A 41 38.121 19.299 32.427 1.00 0.00 C ATOM 700 NZ LYS A 41 39.449 19.845 32.042 1.00 0.00 N ATOM 0 H LYS A 41 37.111 21.452 34.777 1.00 0.00 H new ATOM 0 HA LYS A 41 34.347 20.560 35.063 1.00 0.00 H new ATOM 0 HB2 LYS A 41 34.643 18.369 34.392 1.00 0.00 H new ATOM 0 HB3 LYS A 41 35.385 19.314 33.117 1.00 0.00 H new ATOM 0 HG2 LYS A 41 36.862 17.819 35.309 1.00 0.00 H new ATOM 0 HG3 LYS A 41 36.658 17.275 33.655 1.00 0.00 H new ATOM 0 HD2 LYS A 41 38.267 19.701 34.541 1.00 0.00 H new ATOM 0 HD3 LYS A 41 38.925 18.148 34.064 1.00 0.00 H new ATOM 0 HE2 LYS A 41 37.871 18.459 31.779 1.00 0.00 H new ATOM 0 HE3 LYS A 41 37.356 20.060 32.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 39.426 20.144 31.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 39.676 20.662 32.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 40.175 19.111 32.166 1.00 0.00 H new ATOM 714 N THR A 42 34.844 19.518 37.298 1.00 0.00 N ATOM 715 CA THR A 42 35.057 19.132 38.710 1.00 0.00 C ATOM 716 C THR A 42 35.319 17.627 38.861 1.00 0.00 C ATOM 717 O THR A 42 35.063 16.841 37.946 1.00 0.00 O ATOM 718 CB THR A 42 33.859 19.542 39.585 1.00 0.00 C ATOM 719 OG1 THR A 42 32.692 18.852 39.185 1.00 0.00 O ATOM 720 CG2 THR A 42 33.595 21.046 39.546 1.00 0.00 C ATOM 0 H THR A 42 33.885 19.366 36.984 1.00 0.00 H new ATOM 0 HA THR A 42 35.944 19.667 39.050 1.00 0.00 H new ATOM 0 HB THR A 42 34.116 19.273 40.610 1.00 0.00 H new ATOM 0 HG1 THR A 42 31.941 19.123 39.753 1.00 0.00 H new ATOM 0 HG21 THR A 42 32.740 21.282 40.180 1.00 0.00 H new ATOM 0 HG22 THR A 42 34.474 21.579 39.909 1.00 0.00 H new ATOM 0 HG23 THR A 42 33.383 21.352 38.522 1.00 0.00 H new ATOM 728 N VAL A 43 35.786 17.200 40.040 1.00 0.00 N ATOM 729 CA VAL A 43 35.977 15.771 40.384 1.00 0.00 C ATOM 730 C VAL A 43 34.664 14.967 40.426 1.00 0.00 C ATOM 731 O VAL A 43 34.692 13.738 40.335 1.00 0.00 O ATOM 732 CB VAL A 43 36.749 15.602 41.711 1.00 0.00 C ATOM 733 CG1 VAL A 43 38.152 16.212 41.616 1.00 0.00 C ATOM 734 CG2 VAL A 43 36.022 16.202 42.922 1.00 0.00 C ATOM 0 H VAL A 43 36.047 17.836 40.794 1.00 0.00 H new ATOM 0 HA VAL A 43 36.575 15.358 39.572 1.00 0.00 H new ATOM 0 HB VAL A 43 36.819 14.526 41.869 1.00 0.00 H new ATOM 0 HG11 VAL A 43 38.672 16.078 42.565 1.00 0.00 H new ATOM 0 HG12 VAL A 43 38.711 15.716 40.823 1.00 0.00 H new ATOM 0 HG13 VAL A 43 38.072 17.276 41.393 1.00 0.00 H new ATOM 0 HG21 VAL A 43 36.621 16.047 43.819 1.00 0.00 H new ATOM 0 HG22 VAL A 43 35.874 17.270 42.765 1.00 0.00 H new ATOM 0 HG23 VAL A 43 35.054 15.715 43.043 1.00 0.00 H new ATOM 744 N SER A 44 33.512 15.644 40.510 1.00 0.00 N ATOM 745 CA SER A 44 32.173 15.050 40.353 1.00 0.00 C ATOM 746 C SER A 44 31.850 14.661 38.893 1.00 0.00 C ATOM 747 O SER A 44 30.927 13.888 38.630 1.00 0.00 O ATOM 748 CB SER A 44 31.137 16.043 40.902 1.00 0.00 C ATOM 749 OG SER A 44 29.841 15.472 40.982 1.00 0.00 O ATOM 0 H SER A 44 33.482 16.647 40.694 1.00 0.00 H new ATOM 0 HA SER A 44 32.143 14.117 40.916 1.00 0.00 H new ATOM 0 HB2 SER A 44 31.446 16.379 41.892 1.00 0.00 H new ATOM 0 HB3 SER A 44 31.105 16.924 40.262 1.00 0.00 H new ATOM 0 HG SER A 44 29.213 16.135 41.337 1.00 0.00 H new ATOM 755 N GLY A 45 32.630 15.168 37.925 1.00 0.00 N ATOM 756 CA GLY A 45 32.468 14.931 36.484 1.00 0.00 C ATOM 757 C GLY A 45 31.575 15.949 35.760 1.00 0.00 C ATOM 758 O GLY A 45 31.389 15.839 34.545 1.00 0.00 O ATOM 0 H GLY A 45 33.421 15.777 38.134 1.00 0.00 H new ATOM 0 HA2 GLY A 45 33.453 14.935 36.016 1.00 0.00 H new ATOM 0 HA3 GLY A 45 32.051 13.935 36.339 1.00 0.00 H new ATOM 762 N ALA A 46 31.032 16.942 36.472 1.00 0.00 N ATOM 763 CA ALA A 46 30.276 18.051 35.886 1.00 0.00 C ATOM 764 C ALA A 46 31.211 19.055 35.174 1.00 0.00 C ATOM 765 O ALA A 46 32.302 19.354 35.668 1.00 0.00 O ATOM 766 CB ALA A 46 29.446 18.715 36.987 1.00 0.00 C ATOM 0 H ALA A 46 31.107 16.998 37.488 1.00 0.00 H new ATOM 0 HA ALA A 46 29.602 17.671 35.118 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.877 19.543 36.564 1.00 0.00 H new ATOM 0 HB2 ALA A 46 28.759 17.985 37.416 1.00 0.00 H new ATOM 0 HB3 ALA A 46 30.109 19.090 37.766 1.00 0.00 H new ATOM 772 N ALA A 47 30.773 19.578 34.023 1.00 0.00 N ATOM 773 CA ALA A 47 31.513 20.536 33.200 1.00 0.00 C ATOM 774 C ALA A 47 30.864 21.934 33.200 1.00 0.00 C ATOM 775 O ALA A 47 29.635 22.065 33.233 1.00 0.00 O ATOM 776 CB ALA A 47 31.668 19.967 31.786 1.00 0.00 C ATOM 0 H ALA A 47 29.864 19.337 33.628 1.00 0.00 H new ATOM 0 HA ALA A 47 32.503 20.679 33.633 1.00 0.00 H new ATOM 0 HB1 ALA A 47 32.218 20.675 31.167 1.00 0.00 H new ATOM 0 HB2 ALA A 47 32.213 19.024 31.831 1.00 0.00 H new ATOM 0 HB3 ALA A 47 30.683 19.796 31.353 1.00 0.00 H new ATOM 782 N PHE A 48 31.705 22.972 33.141 1.00 0.00 N ATOM 783 CA PHE A 48 31.332 24.376 33.340 1.00 0.00 C ATOM 784 C PHE A 48 32.128 25.302 32.414 1.00 0.00 C ATOM 785 O PHE A 48 33.359 25.245 32.399 1.00 0.00 O ATOM 786 CB PHE A 48 31.580 24.764 34.806 1.00 0.00 C ATOM 787 CG PHE A 48 30.821 23.922 35.813 1.00 0.00 C ATOM 788 CD1 PHE A 48 29.486 24.240 36.110 1.00 0.00 C ATOM 789 CD2 PHE A 48 31.431 22.817 36.436 1.00 0.00 C ATOM 790 CE1 PHE A 48 28.760 23.475 37.039 1.00 0.00 C ATOM 791 CE2 PHE A 48 30.702 22.042 37.352 1.00 0.00 C ATOM 792 CZ PHE A 48 29.370 22.372 37.660 1.00 0.00 C ATOM 0 H PHE A 48 32.699 22.853 32.946 1.00 0.00 H new ATOM 0 HA PHE A 48 30.275 24.490 33.098 1.00 0.00 H new ATOM 0 HB2 PHE A 48 32.647 24.685 35.015 1.00 0.00 H new ATOM 0 HB3 PHE A 48 31.305 25.810 34.944 1.00 0.00 H new ATOM 0 HD1 PHE A 48 29.013 25.079 35.621 1.00 0.00 H new ATOM 0 HD2 PHE A 48 32.457 22.566 36.210 1.00 0.00 H new ATOM 0 HE1 PHE A 48 27.738 23.734 37.274 1.00 0.00 H new ATOM 0 HE2 PHE A 48 31.166 21.188 37.823 1.00 0.00 H new ATOM 0 HZ PHE A 48 28.817 21.778 38.373 1.00 0.00 H new ATOM 802 N ALA A 49 31.455 26.172 31.659 1.00 0.00 N ATOM 803 CA ALA A 49 32.095 27.159 30.784 1.00 0.00 C ATOM 804 C ALA A 49 31.852 28.589 31.281 1.00 0.00 C ATOM 805 O ALA A 49 30.781 28.900 31.810 1.00 0.00 O ATOM 806 CB ALA A 49 31.632 26.959 29.336 1.00 0.00 C ATOM 0 H ALA A 49 30.436 26.212 31.637 1.00 0.00 H new ATOM 0 HA ALA A 49 33.174 27.004 30.812 1.00 0.00 H new ATOM 0 HB1 ALA A 49 32.113 27.697 28.695 1.00 0.00 H new ATOM 0 HB2 ALA A 49 31.903 25.957 29.003 1.00 0.00 H new ATOM 0 HB3 ALA A 49 30.550 27.080 29.280 1.00 0.00 H new ATOM 812 N PHE A 50 32.850 29.456 31.080 1.00 0.00 N ATOM 813 CA PHE A 50 32.805 30.871 31.453 1.00 0.00 C ATOM 814 C PHE A 50 33.273 31.755 30.292 1.00 0.00 C ATOM 815 O PHE A 50 34.292 31.464 29.660 1.00 0.00 O ATOM 816 CB PHE A 50 33.615 31.124 32.733 1.00 0.00 C ATOM 817 CG PHE A 50 33.054 30.478 33.990 1.00 0.00 C ATOM 818 CD1 PHE A 50 33.331 29.130 34.283 1.00 0.00 C ATOM 819 CD2 PHE A 50 32.274 31.234 34.888 1.00 0.00 C ATOM 820 CE1 PHE A 50 32.890 28.557 35.490 1.00 0.00 C ATOM 821 CE2 PHE A 50 31.831 30.661 36.094 1.00 0.00 C ATOM 822 CZ PHE A 50 32.157 29.331 36.406 1.00 0.00 C ATOM 0 H PHE A 50 33.731 29.186 30.643 1.00 0.00 H new ATOM 0 HA PHE A 50 31.771 31.140 31.667 1.00 0.00 H new ATOM 0 HB2 PHE A 50 34.631 30.761 32.579 1.00 0.00 H new ATOM 0 HB3 PHE A 50 33.682 32.200 32.895 1.00 0.00 H new ATOM 0 HD1 PHE A 50 33.886 28.531 33.576 1.00 0.00 H new ATOM 0 HD2 PHE A 50 32.016 32.255 34.650 1.00 0.00 H new ATOM 0 HE1 PHE A 50 33.114 27.524 35.712 1.00 0.00 H new ATOM 0 HE2 PHE A 50 31.238 31.246 36.782 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.845 28.904 37.348 1.00 0.00 H new ATOM 832 N ILE A 51 32.518 32.821 30.003 1.00 0.00 N ATOM 833 CA ILE A 51 32.644 33.628 28.779 1.00 0.00 C ATOM 834 C ILE A 51 32.570 35.128 29.116 1.00 0.00 C ATOM 835 O ILE A 51 31.498 35.632 29.443 1.00 0.00 O ATOM 836 CB ILE A 51 31.551 33.225 27.752 1.00 0.00 C ATOM 837 CG1 ILE A 51 31.469 31.706 27.459 1.00 0.00 C ATOM 838 CG2 ILE A 51 31.794 33.961 26.423 1.00 0.00 C ATOM 839 CD1 ILE A 51 30.404 30.979 28.295 1.00 0.00 C ATOM 0 H ILE A 51 31.784 33.156 30.627 1.00 0.00 H new ATOM 0 HA ILE A 51 33.617 33.434 28.327 1.00 0.00 H new ATOM 0 HB ILE A 51 30.604 33.509 28.211 1.00 0.00 H new ATOM 0 HG12 ILE A 51 31.252 31.559 26.401 1.00 0.00 H new ATOM 0 HG13 ILE A 51 32.442 31.254 27.651 1.00 0.00 H new ATOM 0 HG21 ILE A 51 31.026 33.677 25.704 1.00 0.00 H new ATOM 0 HG22 ILE A 51 31.754 35.037 26.590 1.00 0.00 H new ATOM 0 HG23 ILE A 51 32.775 33.691 26.032 1.00 0.00 H new ATOM 0 HD11 ILE A 51 30.401 29.920 28.039 1.00 0.00 H new ATOM 0 HD12 ILE A 51 30.631 31.096 29.355 1.00 0.00 H new ATOM 0 HD13 ILE A 51 29.423 31.406 28.085 1.00 0.00 H new ATOM 851 N GLU A 52 33.696 35.841 29.058 1.00 0.00 N ATOM 852 CA GLU A 52 33.820 37.257 29.443 1.00 0.00 C ATOM 853 C GLU A 52 33.265 38.221 28.377 1.00 0.00 C ATOM 854 O GLU A 52 33.635 38.138 27.203 1.00 0.00 O ATOM 855 CB GLU A 52 35.288 37.548 29.792 1.00 0.00 C ATOM 856 CG GLU A 52 35.485 38.911 30.471 1.00 0.00 C ATOM 857 CD GLU A 52 36.968 39.263 30.730 1.00 0.00 C ATOM 858 OE1 GLU A 52 37.881 38.485 30.362 1.00 0.00 O ATOM 859 OE2 GLU A 52 37.225 40.345 31.310 1.00 0.00 O ATOM 0 H GLU A 52 34.576 35.441 28.733 1.00 0.00 H new ATOM 0 HA GLU A 52 33.201 37.434 30.323 1.00 0.00 H new ATOM 0 HB2 GLU A 52 35.662 36.763 30.450 1.00 0.00 H new ATOM 0 HB3 GLU A 52 35.886 37.512 28.881 1.00 0.00 H new ATOM 0 HG2 GLU A 52 35.039 39.686 29.848 1.00 0.00 H new ATOM 0 HG3 GLU A 52 34.948 38.917 31.419 1.00 0.00 H new ATOM 866 N PHE A 53 32.371 39.129 28.780 1.00 0.00 N ATOM 867 CA PHE A 53 31.513 39.940 27.900 1.00 0.00 C ATOM 868 C PHE A 53 31.908 41.428 27.809 1.00 0.00 C ATOM 869 O PHE A 53 32.660 41.954 28.632 1.00 0.00 O ATOM 870 CB PHE A 53 30.047 39.777 28.357 1.00 0.00 C ATOM 871 CG PHE A 53 29.250 38.666 27.689 1.00 0.00 C ATOM 872 CD1 PHE A 53 29.865 37.495 27.192 1.00 0.00 C ATOM 873 CD2 PHE A 53 27.860 38.828 27.538 1.00 0.00 C ATOM 874 CE1 PHE A 53 29.101 36.525 26.521 1.00 0.00 C ATOM 875 CE2 PHE A 53 27.100 37.853 26.870 1.00 0.00 C ATOM 876 CZ PHE A 53 27.724 36.713 26.344 1.00 0.00 C ATOM 0 H PHE A 53 32.216 39.330 29.768 1.00 0.00 H new ATOM 0 HA PHE A 53 31.647 39.565 26.885 1.00 0.00 H new ATOM 0 HB2 PHE A 53 30.042 39.602 29.433 1.00 0.00 H new ATOM 0 HB3 PHE A 53 29.529 40.720 28.185 1.00 0.00 H new ATOM 0 HD1 PHE A 53 30.926 37.345 27.328 1.00 0.00 H new ATOM 0 HD2 PHE A 53 27.375 39.706 27.938 1.00 0.00 H new ATOM 0 HE1 PHE A 53 29.576 35.633 26.141 1.00 0.00 H new ATOM 0 HE2 PHE A 53 26.033 37.982 26.762 1.00 0.00 H new ATOM 0 HZ PHE A 53 27.144 35.980 25.803 1.00 0.00 H new ATOM 886 N GLU A 54 31.379 42.110 26.785 1.00 0.00 N ATOM 887 CA GLU A 54 31.612 43.537 26.503 1.00 0.00 C ATOM 888 C GLU A 54 30.657 44.483 27.263 1.00 0.00 C ATOM 889 O GLU A 54 31.117 45.390 27.960 1.00 0.00 O ATOM 890 CB GLU A 54 31.513 43.753 24.984 1.00 0.00 C ATOM 891 CG GLU A 54 31.734 45.206 24.536 1.00 0.00 C ATOM 892 CD GLU A 54 31.823 45.306 22.998 1.00 0.00 C ATOM 893 OE1 GLU A 54 31.023 44.649 22.290 1.00 0.00 O ATOM 894 OE2 GLU A 54 32.716 46.018 22.474 1.00 0.00 O ATOM 0 H GLU A 54 30.756 41.672 26.106 1.00 0.00 H new ATOM 0 HA GLU A 54 32.608 43.792 26.864 1.00 0.00 H new ATOM 0 HB2 GLU A 54 32.248 43.117 24.490 1.00 0.00 H new ATOM 0 HB3 GLU A 54 30.530 43.426 24.646 1.00 0.00 H new ATOM 0 HG2 GLU A 54 30.916 45.830 24.897 1.00 0.00 H new ATOM 0 HG3 GLU A 54 32.650 45.592 24.982 1.00 0.00 H new ATOM 901 N ASP A 55 29.338 44.296 27.128 1.00 0.00 N ATOM 902 CA ASP A 55 28.308 45.226 27.622 1.00 0.00 C ATOM 903 C ASP A 55 26.995 44.522 28.024 1.00 0.00 C ATOM 904 O ASP A 55 26.245 44.002 27.195 1.00 0.00 O ATOM 905 CB ASP A 55 28.049 46.374 26.616 1.00 0.00 C ATOM 906 CG ASP A 55 27.732 46.008 25.147 1.00 0.00 C ATOM 907 OD1 ASP A 55 27.883 44.847 24.706 1.00 0.00 O ATOM 908 OD2 ASP A 55 27.351 46.946 24.405 1.00 0.00 O ATOM 0 H ASP A 55 28.946 43.477 26.663 1.00 0.00 H new ATOM 0 HA ASP A 55 28.710 45.663 28.536 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.218 46.968 26.997 1.00 0.00 H new ATOM 0 HB3 ASP A 55 28.928 47.019 26.615 1.00 0.00 H new ATOM 913 N ALA A 56 26.698 44.534 29.327 1.00 0.00 N ATOM 914 CA ALA A 56 25.620 43.740 29.930 1.00 0.00 C ATOM 915 C ALA A 56 24.203 44.125 29.465 1.00 0.00 C ATOM 916 O ALA A 56 23.357 43.244 29.300 1.00 0.00 O ATOM 917 CB ALA A 56 25.745 43.862 31.453 1.00 0.00 C ATOM 0 H ALA A 56 27.206 45.103 30.003 1.00 0.00 H new ATOM 0 HA ALA A 56 25.744 42.709 29.597 1.00 0.00 H new ATOM 0 HB1 ALA A 56 24.956 43.281 31.931 1.00 0.00 H new ATOM 0 HB2 ALA A 56 26.717 43.483 31.770 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.652 44.909 31.743 1.00 0.00 H new ATOM 923 N ARG A 57 23.928 45.421 29.238 1.00 0.00 N ATOM 924 CA ARG A 57 22.581 45.915 28.878 1.00 0.00 C ATOM 925 C ARG A 57 22.118 45.389 27.514 1.00 0.00 C ATOM 926 O ARG A 57 20.978 44.953 27.376 1.00 0.00 O ATOM 927 CB ARG A 57 22.515 47.454 28.880 1.00 0.00 C ATOM 928 CG ARG A 57 22.582 48.139 30.259 1.00 0.00 C ATOM 929 CD ARG A 57 24.001 48.259 30.835 1.00 0.00 C ATOM 930 NE ARG A 57 24.069 49.266 31.915 1.00 0.00 N ATOM 931 CZ ARG A 57 24.212 50.573 31.789 1.00 0.00 C ATOM 932 NH1 ARG A 57 24.296 51.166 30.631 1.00 0.00 N ATOM 933 NH2 ARG A 57 24.274 51.313 32.855 1.00 0.00 N ATOM 0 H ARG A 57 24.631 46.158 29.298 1.00 0.00 H new ATOM 0 HA ARG A 57 21.908 45.532 29.645 1.00 0.00 H new ATOM 0 HB2 ARG A 57 23.335 47.832 28.270 1.00 0.00 H new ATOM 0 HB3 ARG A 57 21.589 47.757 28.392 1.00 0.00 H new ATOM 0 HG2 ARG A 57 22.149 49.136 30.178 1.00 0.00 H new ATOM 0 HG3 ARG A 57 21.963 47.579 30.961 1.00 0.00 H new ATOM 0 HD2 ARG A 57 24.321 47.291 31.220 1.00 0.00 H new ATOM 0 HD3 ARG A 57 24.695 48.531 30.040 1.00 0.00 H new ATOM 0 HE ARG A 57 23.997 48.910 32.868 1.00 0.00 H new ATOM 0 HH11 ARG A 57 24.252 50.617 29.772 1.00 0.00 H new ATOM 0 HH12 ARG A 57 24.406 52.179 30.584 1.00 0.00 H new ATOM 0 HH21 ARG A 57 24.212 50.884 33.778 1.00 0.00 H new ATOM 0 HH22 ARG A 57 24.384 52.323 32.769 1.00 0.00 H new ATOM 947 N ASP A 58 23.004 45.405 26.519 1.00 0.00 N ATOM 948 CA ASP A 58 22.721 44.900 25.168 1.00 0.00 C ATOM 949 C ASP A 58 22.687 43.358 25.143 1.00 0.00 C ATOM 950 O ASP A 58 21.795 42.754 24.543 1.00 0.00 O ATOM 951 CB ASP A 58 23.774 45.470 24.199 1.00 0.00 C ATOM 952 CG ASP A 58 23.391 45.395 22.708 1.00 0.00 C ATOM 953 OD1 ASP A 58 22.227 45.083 22.363 1.00 0.00 O ATOM 954 OD2 ASP A 58 24.255 45.715 21.855 1.00 0.00 O ATOM 0 H ASP A 58 23.950 45.772 26.625 1.00 0.00 H new ATOM 0 HA ASP A 58 21.732 45.231 24.851 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.960 46.512 24.459 1.00 0.00 H new ATOM 0 HB3 ASP A 58 24.711 44.932 24.346 1.00 0.00 H new ATOM 959 N ALA A 59 23.605 42.714 25.875 1.00 0.00 N ATOM 960 CA ALA A 59 23.655 41.259 26.022 1.00 0.00 C ATOM 961 C ALA A 59 22.392 40.663 26.678 1.00 0.00 C ATOM 962 O ALA A 59 21.957 39.582 26.281 1.00 0.00 O ATOM 963 CB ALA A 59 24.901 40.908 26.838 1.00 0.00 C ATOM 0 H ALA A 59 24.342 43.198 26.387 1.00 0.00 H new ATOM 0 HA ALA A 59 23.700 40.819 25.026 1.00 0.00 H new ATOM 0 HB1 ALA A 59 24.962 39.827 26.962 1.00 0.00 H new ATOM 0 HB2 ALA A 59 25.790 41.264 26.317 1.00 0.00 H new ATOM 0 HB3 ALA A 59 24.840 41.383 27.817 1.00 0.00 H new ATOM 969 N ALA A 60 21.781 41.354 27.646 1.00 0.00 N ATOM 970 CA ALA A 60 20.605 40.871 28.376 1.00 0.00 C ATOM 971 C ALA A 60 19.388 40.589 27.471 1.00 0.00 C ATOM 972 O ALA A 60 18.667 39.619 27.706 1.00 0.00 O ATOM 973 CB ALA A 60 20.259 41.890 29.469 1.00 0.00 C ATOM 0 H ALA A 60 22.094 42.277 27.948 1.00 0.00 H new ATOM 0 HA ALA A 60 20.857 39.907 28.818 1.00 0.00 H new ATOM 0 HB1 ALA A 60 19.385 41.547 30.023 1.00 0.00 H new ATOM 0 HB2 ALA A 60 21.103 41.993 30.151 1.00 0.00 H new ATOM 0 HB3 ALA A 60 20.042 42.855 29.011 1.00 0.00 H new ATOM 979 N ASP A 61 19.181 41.367 26.403 1.00 0.00 N ATOM 980 CA ASP A 61 18.097 41.136 25.434 1.00 0.00 C ATOM 981 C ASP A 61 18.269 39.828 24.635 1.00 0.00 C ATOM 982 O ASP A 61 17.280 39.202 24.256 1.00 0.00 O ATOM 983 CB ASP A 61 17.970 42.329 24.468 1.00 0.00 C ATOM 984 CG ASP A 61 17.459 43.638 25.096 1.00 0.00 C ATOM 985 OD1 ASP A 61 16.961 43.642 26.246 1.00 0.00 O ATOM 986 OD2 ASP A 61 17.500 44.681 24.398 1.00 0.00 O ATOM 0 H ASP A 61 19.760 42.177 26.183 1.00 0.00 H new ATOM 0 HA ASP A 61 17.181 41.036 26.017 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.946 42.518 24.021 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.297 42.048 23.658 1.00 0.00 H new ATOM 991 N ALA A 62 19.513 39.389 24.416 1.00 0.00 N ATOM 992 CA ALA A 62 19.836 38.084 23.837 1.00 0.00 C ATOM 993 C ALA A 62 19.869 36.956 24.894 1.00 0.00 C ATOM 994 O ALA A 62 19.550 35.810 24.584 1.00 0.00 O ATOM 995 CB ALA A 62 21.167 38.216 23.090 1.00 0.00 C ATOM 0 H ALA A 62 20.339 39.943 24.641 1.00 0.00 H new ATOM 0 HA ALA A 62 19.049 37.792 23.142 1.00 0.00 H new ATOM 0 HB1 ALA A 62 21.433 37.256 22.648 1.00 0.00 H new ATOM 0 HB2 ALA A 62 21.070 38.964 22.303 1.00 0.00 H new ATOM 0 HB3 ALA A 62 21.947 38.522 23.787 1.00 0.00 H new ATOM 1001 N ILE A 63 20.209 37.262 26.153 1.00 0.00 N ATOM 1002 CA ILE A 63 20.235 36.281 27.253 1.00 0.00 C ATOM 1003 C ILE A 63 18.822 35.842 27.679 1.00 0.00 C ATOM 1004 O ILE A 63 18.619 34.667 27.984 1.00 0.00 O ATOM 1005 CB ILE A 63 21.100 36.814 28.427 1.00 0.00 C ATOM 1006 CG1 ILE A 63 22.272 35.855 28.729 1.00 0.00 C ATOM 1007 CG2 ILE A 63 20.329 37.180 29.710 1.00 0.00 C ATOM 1008 CD1 ILE A 63 21.883 34.476 29.283 1.00 0.00 C ATOM 0 H ILE A 63 20.476 38.203 26.442 1.00 0.00 H new ATOM 0 HA ILE A 63 20.711 35.369 26.892 1.00 0.00 H new ATOM 0 HB ILE A 63 21.491 37.767 28.070 1.00 0.00 H new ATOM 0 HG12 ILE A 63 22.843 35.709 27.812 1.00 0.00 H new ATOM 0 HG13 ILE A 63 22.937 36.339 29.445 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.028 37.541 30.464 1.00 0.00 H new ATOM 0 HG22 ILE A 63 19.601 37.960 29.487 1.00 0.00 H new ATOM 0 HG23 ILE A 63 19.811 36.298 30.087 1.00 0.00 H new ATOM 0 HD11 ILE A 63 22.783 33.887 29.458 1.00 0.00 H new ATOM 0 HD12 ILE A 63 21.342 34.600 30.221 1.00 0.00 H new ATOM 0 HD13 ILE A 63 21.247 33.961 28.563 1.00 0.00 H new ATOM 1020 N LYS A 64 17.826 36.742 27.660 1.00 0.00 N ATOM 1021 CA LYS A 64 16.462 36.440 28.143 1.00 0.00 C ATOM 1022 C LYS A 64 15.679 35.428 27.294 1.00 0.00 C ATOM 1023 O LYS A 64 14.682 34.892 27.765 1.00 0.00 O ATOM 1024 CB LYS A 64 15.682 37.737 28.437 1.00 0.00 C ATOM 1025 CG LYS A 64 15.397 38.697 27.269 1.00 0.00 C ATOM 1026 CD LYS A 64 14.369 38.192 26.244 1.00 0.00 C ATOM 1027 CE LYS A 64 13.925 39.295 25.270 1.00 0.00 C ATOM 1028 NZ LYS A 64 13.013 40.283 25.911 1.00 0.00 N ATOM 0 H LYS A 64 17.938 37.694 27.313 1.00 0.00 H new ATOM 0 HA LYS A 64 16.590 35.910 29.087 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.725 37.457 28.878 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.233 38.292 29.196 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.045 39.645 27.676 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.334 38.901 26.750 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.798 37.364 25.680 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.497 37.802 26.769 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.804 39.812 24.885 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.423 38.841 24.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.660 40.947 25.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.210 39.784 26.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.531 40.809 26.644 1.00 0.00 H new ATOM 1042 N GLU A 65 16.132 35.124 26.074 1.00 0.00 N ATOM 1043 CA GLU A 65 15.589 34.038 25.235 1.00 0.00 C ATOM 1044 C GLU A 65 16.321 32.691 25.421 1.00 0.00 C ATOM 1045 O GLU A 65 15.866 31.670 24.899 1.00 0.00 O ATOM 1046 CB GLU A 65 15.515 34.482 23.761 1.00 0.00 C ATOM 1047 CG GLU A 65 16.862 34.895 23.148 1.00 0.00 C ATOM 1048 CD GLU A 65 16.810 35.109 21.619 1.00 0.00 C ATOM 1049 OE1 GLU A 65 15.721 35.384 21.056 1.00 0.00 O ATOM 1050 OE2 GLU A 65 17.879 35.020 20.966 1.00 0.00 O ATOM 0 H GLU A 65 16.898 35.630 25.630 1.00 0.00 H new ATOM 0 HA GLU A 65 14.573 33.844 25.577 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.097 33.667 23.170 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.823 35.320 23.682 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.200 35.816 23.623 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.604 34.129 23.374 1.00 0.00 H new ATOM 1057 N LYS A 66 17.426 32.659 26.183 1.00 0.00 N ATOM 1058 CA LYS A 66 18.148 31.442 26.616 1.00 0.00 C ATOM 1059 C LYS A 66 17.782 30.987 28.041 1.00 0.00 C ATOM 1060 O LYS A 66 18.357 30.018 28.541 1.00 0.00 O ATOM 1061 CB LYS A 66 19.671 31.672 26.517 1.00 0.00 C ATOM 1062 CG LYS A 66 20.234 32.091 25.152 1.00 0.00 C ATOM 1063 CD LYS A 66 20.086 31.046 24.030 1.00 0.00 C ATOM 1064 CE LYS A 66 18.748 31.163 23.290 1.00 0.00 C ATOM 1065 NZ LYS A 66 18.639 30.164 22.193 1.00 0.00 N ATOM 0 H LYS A 66 17.862 33.513 26.531 1.00 0.00 H new ATOM 0 HA LYS A 66 17.839 30.642 25.943 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.944 32.437 27.243 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.171 30.752 26.820 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.737 33.009 24.839 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.292 32.326 25.270 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.903 31.164 23.318 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.176 30.046 24.455 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.928 31.021 23.995 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.645 32.168 22.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.722 30.272 21.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.407 30.315 21.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.712 29.205 22.588 1.00 0.00 H new ATOM 1079 N ASP A 67 16.866 31.688 28.717 1.00 0.00 N ATOM 1080 CA ASP A 67 16.464 31.406 30.103 1.00 0.00 C ATOM 1081 C ASP A 67 15.660 30.092 30.267 1.00 0.00 C ATOM 1082 O ASP A 67 15.348 29.392 29.297 1.00 0.00 O ATOM 1083 CB ASP A 67 15.736 32.624 30.708 1.00 0.00 C ATOM 1084 CG ASP A 67 14.262 32.837 30.296 1.00 0.00 C ATOM 1085 OD1 ASP A 67 13.745 32.162 29.376 1.00 0.00 O ATOM 1086 OD2 ASP A 67 13.596 33.684 30.941 1.00 0.00 O ATOM 0 H ASP A 67 16.373 32.483 28.310 1.00 0.00 H new ATOM 0 HA ASP A 67 17.379 31.236 30.670 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.775 32.537 31.794 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.295 33.520 30.440 1.00 0.00 H new ATOM 1091 N GLY A 68 15.339 29.742 31.521 1.00 0.00 N ATOM 1092 CA GLY A 68 14.655 28.494 31.877 1.00 0.00 C ATOM 1093 C GLY A 68 15.621 27.308 31.912 1.00 0.00 C ATOM 1094 O GLY A 68 15.669 26.500 30.980 1.00 0.00 O ATOM 0 H GLY A 68 15.551 30.329 32.328 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.180 28.605 32.852 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.862 28.296 31.156 1.00 0.00 H new ATOM 1098 N CYS A 69 16.404 27.212 32.989 1.00 0.00 N ATOM 1099 CA CYS A 69 17.346 26.118 33.236 1.00 0.00 C ATOM 1100 C CYS A 69 16.644 24.744 33.327 1.00 0.00 C ATOM 1101 O CYS A 69 15.472 24.636 33.702 1.00 0.00 O ATOM 1102 CB CYS A 69 18.181 26.448 34.484 1.00 0.00 C ATOM 1103 SG CYS A 69 17.126 26.825 35.919 1.00 0.00 S ATOM 0 H CYS A 69 16.400 27.911 33.732 1.00 0.00 H new ATOM 0 HA CYS A 69 18.019 26.030 32.383 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.830 25.605 34.721 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.828 27.300 34.274 1.00 0.00 H new ATOM 0 HG CYS A 69 15.992 26.200 35.800 1.00 0.00 H new ATOM 1109 N ASP A 70 17.366 23.689 32.947 1.00 0.00 N ATOM 1110 CA ASP A 70 16.818 22.368 32.629 1.00 0.00 C ATOM 1111 C ASP A 70 17.784 21.243 33.058 1.00 0.00 C ATOM 1112 O ASP A 70 18.998 21.319 32.836 1.00 0.00 O ATOM 1113 CB ASP A 70 16.491 22.340 31.123 1.00 0.00 C ATOM 1114 CG ASP A 70 15.398 21.337 30.735 1.00 0.00 C ATOM 1115 OD1 ASP A 70 15.126 20.374 31.490 1.00 0.00 O ATOM 1116 OD2 ASP A 70 14.817 21.494 29.635 1.00 0.00 O ATOM 0 H ASP A 70 18.380 23.731 32.849 1.00 0.00 H new ATOM 0 HA ASP A 70 15.901 22.188 33.190 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.180 23.337 30.812 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.400 22.102 30.570 1.00 0.00 H new ATOM 1121 N PHE A 71 17.237 20.228 33.730 1.00 0.00 N ATOM 1122 CA PHE A 71 17.948 19.289 34.606 1.00 0.00 C ATOM 1123 C PHE A 71 17.161 17.973 34.788 1.00 0.00 C ATOM 1124 O PHE A 71 16.011 17.859 34.360 1.00 0.00 O ATOM 1125 CB PHE A 71 18.229 19.981 35.958 1.00 0.00 C ATOM 1126 CG PHE A 71 17.107 20.858 36.497 1.00 0.00 C ATOM 1127 CD1 PHE A 71 15.945 20.281 37.049 1.00 0.00 C ATOM 1128 CD2 PHE A 71 17.216 22.262 36.419 1.00 0.00 C ATOM 1129 CE1 PHE A 71 14.903 21.103 37.519 1.00 0.00 C ATOM 1130 CE2 PHE A 71 16.173 23.081 36.887 1.00 0.00 C ATOM 1131 CZ PHE A 71 15.017 22.501 37.438 1.00 0.00 C ATOM 0 H PHE A 71 16.238 20.027 33.677 1.00 0.00 H new ATOM 0 HA PHE A 71 18.896 19.014 34.143 1.00 0.00 H new ATOM 0 HB2 PHE A 71 18.453 19.213 36.699 1.00 0.00 H new ATOM 0 HB3 PHE A 71 19.125 20.593 35.853 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.854 19.207 37.111 1.00 0.00 H new ATOM 0 HD2 PHE A 71 18.104 22.710 35.998 1.00 0.00 H new ATOM 0 HE1 PHE A 71 14.015 20.658 37.942 1.00 0.00 H new ATOM 0 HE2 PHE A 71 16.260 24.156 36.823 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.217 23.130 37.799 1.00 0.00 H new ATOM 1141 N GLU A 72 17.781 16.964 35.420 1.00 0.00 N ATOM 1142 CA GLU A 72 17.197 15.628 35.684 1.00 0.00 C ATOM 1143 C GLU A 72 16.732 14.877 34.408 1.00 0.00 C ATOM 1144 O GLU A 72 15.808 14.059 34.438 1.00 0.00 O ATOM 1145 CB GLU A 72 16.123 15.693 36.791 1.00 0.00 C ATOM 1146 CG GLU A 72 16.617 16.278 38.126 1.00 0.00 C ATOM 1147 CD GLU A 72 17.813 15.517 38.733 1.00 0.00 C ATOM 1148 OE1 GLU A 72 17.845 14.262 38.686 1.00 0.00 O ATOM 1149 OE2 GLU A 72 18.731 16.174 39.283 1.00 0.00 O ATOM 0 H GLU A 72 18.733 17.053 35.775 1.00 0.00 H new ATOM 0 HA GLU A 72 18.008 15.008 36.066 1.00 0.00 H new ATOM 0 HB2 GLU A 72 15.286 16.293 36.433 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.741 14.688 36.969 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.900 17.319 37.973 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.794 16.273 38.841 1.00 0.00 H new ATOM 1156 N GLY A 73 17.386 15.158 33.277 1.00 0.00 N ATOM 1157 CA GLY A 73 17.125 14.555 31.962 1.00 0.00 C ATOM 1158 C GLY A 73 17.764 15.348 30.816 1.00 0.00 C ATOM 1159 O GLY A 73 18.296 14.759 29.872 1.00 0.00 O ATOM 0 H GLY A 73 18.144 15.840 33.249 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.508 13.535 31.951 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.049 14.493 31.801 1.00 0.00 H new ATOM 1163 N ASN A 74 17.783 16.679 30.942 1.00 0.00 N ATOM 1164 CA ASN A 74 18.520 17.615 30.083 1.00 0.00 C ATOM 1165 C ASN A 74 19.730 18.215 30.829 1.00 0.00 C ATOM 1166 O ASN A 74 19.799 18.150 32.058 1.00 0.00 O ATOM 1167 CB ASN A 74 17.552 18.692 29.567 1.00 0.00 C ATOM 1168 CG ASN A 74 16.307 18.095 28.921 1.00 0.00 C ATOM 1169 OD1 ASN A 74 16.370 17.409 27.910 1.00 0.00 O ATOM 1170 ND2 ASN A 74 15.144 18.311 29.491 1.00 0.00 N ATOM 0 H ASN A 74 17.262 17.156 31.678 1.00 0.00 H new ATOM 0 HA ASN A 74 18.928 17.084 29.223 1.00 0.00 H new ATOM 0 HB2 ASN A 74 17.255 19.336 30.395 1.00 0.00 H new ATOM 0 HB3 ASN A 74 18.067 19.322 28.842 1.00 0.00 H new ATOM 0 HD21 ASN A 74 14.297 17.907 29.091 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.088 18.882 30.334 1.00 0.00 H new ATOM 1177 N LYS A 75 20.691 18.781 30.088 1.00 0.00 N ATOM 1178 CA LYS A 75 22.016 19.231 30.575 1.00 0.00 C ATOM 1179 C LYS A 75 22.269 20.713 30.214 1.00 0.00 C ATOM 1180 O LYS A 75 23.140 21.020 29.402 1.00 0.00 O ATOM 1181 CB LYS A 75 23.099 18.253 30.040 1.00 0.00 C ATOM 1182 CG LYS A 75 23.554 17.153 31.017 1.00 0.00 C ATOM 1183 CD LYS A 75 22.501 16.085 31.368 1.00 0.00 C ATOM 1184 CE LYS A 75 21.962 16.214 32.800 1.00 0.00 C ATOM 1185 NZ LYS A 75 22.937 15.738 33.820 1.00 0.00 N ATOM 0 H LYS A 75 20.568 18.948 29.089 1.00 0.00 H new ATOM 0 HA LYS A 75 22.057 19.200 31.664 1.00 0.00 H new ATOM 0 HB2 LYS A 75 22.716 17.775 29.138 1.00 0.00 H new ATOM 0 HB3 LYS A 75 23.973 18.835 29.746 1.00 0.00 H new ATOM 0 HG2 LYS A 75 24.423 16.652 30.590 1.00 0.00 H new ATOM 0 HG3 LYS A 75 23.883 17.628 31.941 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.670 16.159 30.666 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.940 15.096 31.240 1.00 0.00 H new ATOM 0 HE2 LYS A 75 21.713 17.256 32.999 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.038 15.643 32.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 22.527 15.846 34.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.156 14.736 33.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.810 16.300 33.755 1.00 0.00 H new ATOM 1199 N LEU A 76 21.462 21.638 30.753 1.00 0.00 N ATOM 1200 CA LEU A 76 21.501 23.076 30.411 1.00 0.00 C ATOM 1201 C LEU A 76 21.022 23.984 31.567 1.00 0.00 C ATOM 1202 O LEU A 76 19.832 24.276 31.684 1.00 0.00 O ATOM 1203 CB LEU A 76 20.653 23.309 29.126 1.00 0.00 C ATOM 1204 CG LEU A 76 21.450 23.385 27.807 1.00 0.00 C ATOM 1205 CD1 LEU A 76 20.502 23.268 26.612 1.00 0.00 C ATOM 1206 CD2 LEU A 76 22.200 24.714 27.689 1.00 0.00 C ATOM 0 H LEU A 76 20.752 21.410 31.449 1.00 0.00 H new ATOM 0 HA LEU A 76 22.539 23.354 30.230 1.00 0.00 H new ATOM 0 HB2 LEU A 76 19.923 22.504 29.043 1.00 0.00 H new ATOM 0 HB3 LEU A 76 20.093 24.236 29.245 1.00 0.00 H new ATOM 0 HG LEU A 76 22.166 22.563 27.811 1.00 0.00 H new ATOM 0 HD11 LEU A 76 21.075 23.323 25.686 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.976 22.315 26.657 1.00 0.00 H new ATOM 0 HD13 LEU A 76 19.779 24.083 26.640 1.00 0.00 H new ATOM 0 HD21 LEU A 76 22.752 24.738 26.750 1.00 0.00 H new ATOM 0 HD22 LEU A 76 21.486 25.538 27.712 1.00 0.00 H new ATOM 0 HD23 LEU A 76 22.896 24.814 28.522 1.00 0.00 H new ATOM 1218 N ARG A 77 21.950 24.525 32.378 1.00 0.00 N ATOM 1219 CA ARG A 77 21.705 25.698 33.249 1.00 0.00 C ATOM 1220 C ARG A 77 22.451 26.924 32.714 1.00 0.00 C ATOM 1221 O ARG A 77 23.592 27.161 33.088 1.00 0.00 O ATOM 1222 CB ARG A 77 22.050 25.362 34.721 1.00 0.00 C ATOM 1223 CG ARG A 77 21.958 26.585 35.664 1.00 0.00 C ATOM 1224 CD ARG A 77 22.170 26.235 37.143 1.00 0.00 C ATOM 1225 NE ARG A 77 20.933 25.745 37.778 1.00 0.00 N ATOM 1226 CZ ARG A 77 19.987 26.480 38.334 1.00 0.00 C ATOM 1227 NH1 ARG A 77 20.027 27.781 38.395 1.00 0.00 N ATOM 1228 NH2 ARG A 77 18.933 25.904 38.841 1.00 0.00 N ATOM 0 H ARG A 77 22.900 24.160 32.450 1.00 0.00 H new ATOM 0 HA ARG A 77 20.645 25.950 33.233 1.00 0.00 H new ATOM 0 HB2 ARG A 77 21.374 24.585 35.077 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.059 24.952 34.766 1.00 0.00 H new ATOM 0 HG2 ARG A 77 22.702 27.323 35.363 1.00 0.00 H new ATOM 0 HG3 ARG A 77 20.980 27.052 35.546 1.00 0.00 H new ATOM 0 HD2 ARG A 77 22.947 25.475 37.228 1.00 0.00 H new ATOM 0 HD3 ARG A 77 22.527 27.116 37.676 1.00 0.00 H new ATOM 0 HE ARG A 77 20.793 24.735 37.789 1.00 0.00 H new ATOM 0 HH11 ARG A 77 20.820 28.286 38.000 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.265 28.294 38.838 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.841 24.889 38.808 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.201 26.469 39.271 1.00 0.00 H new ATOM 1242 N VAL A 78 21.819 27.708 31.841 1.00 0.00 N ATOM 1243 CA VAL A 78 22.322 29.043 31.445 1.00 0.00 C ATOM 1244 C VAL A 78 21.936 30.065 32.517 1.00 0.00 C ATOM 1245 O VAL A 78 20.754 30.180 32.855 1.00 0.00 O ATOM 1246 CB VAL A 78 21.776 29.463 30.063 1.00 0.00 C ATOM 1247 CG1 VAL A 78 22.264 30.860 29.660 1.00 0.00 C ATOM 1248 CG2 VAL A 78 22.214 28.473 28.977 1.00 0.00 C ATOM 0 H VAL A 78 20.946 27.446 31.384 1.00 0.00 H new ATOM 0 HA VAL A 78 23.408 28.999 31.361 1.00 0.00 H new ATOM 0 HB VAL A 78 20.689 29.471 30.149 1.00 0.00 H new ATOM 0 HG11 VAL A 78 21.858 31.119 28.682 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.928 31.589 30.397 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.353 30.866 29.614 1.00 0.00 H new ATOM 0 HG21 VAL A 78 21.817 28.791 28.013 1.00 0.00 H new ATOM 0 HG22 VAL A 78 23.303 28.444 28.929 1.00 0.00 H new ATOM 0 HG23 VAL A 78 21.835 27.480 29.216 1.00 0.00 H new ATOM 1258 N GLU A 79 22.905 30.808 33.063 1.00 0.00 N ATOM 1259 CA GLU A 79 22.671 31.751 34.169 1.00 0.00 C ATOM 1260 C GLU A 79 23.723 32.880 34.223 1.00 0.00 C ATOM 1261 O GLU A 79 24.910 32.665 33.975 1.00 0.00 O ATOM 1262 CB GLU A 79 22.573 30.944 35.480 1.00 0.00 C ATOM 1263 CG GLU A 79 22.443 31.798 36.746 1.00 0.00 C ATOM 1264 CD GLU A 79 22.320 30.955 38.030 1.00 0.00 C ATOM 1265 OE1 GLU A 79 21.950 29.756 37.975 1.00 0.00 O ATOM 1266 OE2 GLU A 79 22.595 31.531 39.108 1.00 0.00 O ATOM 0 H GLU A 79 23.876 30.774 32.752 1.00 0.00 H new ATOM 0 HA GLU A 79 21.729 32.275 34.007 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.713 30.277 35.417 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.458 30.315 35.571 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.312 32.451 36.828 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.568 32.442 36.655 1.00 0.00 H new ATOM 1273 N VAL A 80 23.280 34.102 34.550 1.00 0.00 N ATOM 1274 CA VAL A 80 24.103 35.327 34.562 1.00 0.00 C ATOM 1275 C VAL A 80 24.474 35.738 35.998 1.00 0.00 C ATOM 1276 O VAL A 80 23.583 36.129 36.755 1.00 0.00 O ATOM 1277 CB VAL A 80 23.362 36.467 33.831 1.00 0.00 C ATOM 1278 CG1 VAL A 80 24.101 37.807 33.909 1.00 0.00 C ATOM 1279 CG2 VAL A 80 23.196 36.129 32.346 1.00 0.00 C ATOM 0 H VAL A 80 22.312 34.274 34.822 1.00 0.00 H new ATOM 0 HA VAL A 80 25.034 35.122 34.034 1.00 0.00 H new ATOM 0 HB VAL A 80 22.399 36.562 34.333 1.00 0.00 H new ATOM 0 HG11 VAL A 80 23.531 38.568 33.377 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.213 38.101 34.953 1.00 0.00 H new ATOM 0 HG13 VAL A 80 25.086 37.706 33.453 1.00 0.00 H new ATOM 0 HG21 VAL A 80 22.672 36.942 31.844 1.00 0.00 H new ATOM 0 HG22 VAL A 80 24.178 35.995 31.891 1.00 0.00 H new ATOM 0 HG23 VAL A 80 22.620 35.209 32.244 1.00 0.00 H new ATOM 1289 N PRO A 81 25.765 35.711 36.395 1.00 0.00 N ATOM 1290 CA PRO A 81 26.204 36.183 37.715 1.00 0.00 C ATOM 1291 C PRO A 81 26.331 37.719 37.806 1.00 0.00 C ATOM 1292 O PRO A 81 26.247 38.279 38.899 1.00 0.00 O ATOM 1293 CB PRO A 81 27.552 35.490 37.942 1.00 0.00 C ATOM 1294 CG PRO A 81 28.126 35.356 36.535 1.00 0.00 C ATOM 1295 CD PRO A 81 26.887 35.119 35.672 1.00 0.00 C ATOM 0 HA PRO A 81 25.469 35.938 38.482 1.00 0.00 H new ATOM 0 HB2 PRO A 81 28.203 36.081 38.586 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.428 34.518 38.419 1.00 0.00 H new ATOM 0 HG2 PRO A 81 28.662 36.255 36.232 1.00 0.00 H new ATOM 0 HG3 PRO A 81 28.830 34.527 36.465 1.00 0.00 H new ATOM 0 HD2 PRO A 81 27.003 35.579 34.690 1.00 0.00 H new ATOM 0 HD3 PRO A 81 26.725 34.054 35.508 1.00 0.00 H new ATOM 1303 N PHE A 82 26.507 38.418 36.676 1.00 0.00 N ATOM 1304 CA PHE A 82 26.670 39.881 36.581 1.00 0.00 C ATOM 1305 C PHE A 82 25.334 40.646 36.419 1.00 0.00 C ATOM 1306 O PHE A 82 25.287 41.721 35.823 1.00 0.00 O ATOM 1307 CB PHE A 82 27.709 40.213 35.489 1.00 0.00 C ATOM 1308 CG PHE A 82 27.349 39.802 34.070 1.00 0.00 C ATOM 1309 CD1 PHE A 82 27.716 38.530 33.589 1.00 0.00 C ATOM 1310 CD2 PHE A 82 26.681 40.695 33.207 1.00 0.00 C ATOM 1311 CE1 PHE A 82 27.404 38.156 32.271 1.00 0.00 C ATOM 1312 CE2 PHE A 82 26.358 40.312 31.893 1.00 0.00 C ATOM 1313 CZ PHE A 82 26.724 39.043 31.421 1.00 0.00 C ATOM 0 H PHE A 82 26.542 37.963 35.764 1.00 0.00 H new ATOM 0 HA PHE A 82 27.053 40.242 37.535 1.00 0.00 H new ATOM 0 HB2 PHE A 82 27.885 41.289 35.500 1.00 0.00 H new ATOM 0 HB3 PHE A 82 28.651 39.734 35.756 1.00 0.00 H new ATOM 0 HD1 PHE A 82 28.239 37.840 34.235 1.00 0.00 H new ATOM 0 HD2 PHE A 82 26.415 41.681 33.558 1.00 0.00 H new ATOM 0 HE1 PHE A 82 27.689 37.179 31.909 1.00 0.00 H new ATOM 0 HE2 PHE A 82 25.828 40.996 31.247 1.00 0.00 H new ATOM 0 HZ PHE A 82 26.484 38.750 30.410 1.00 0.00 H new ATOM 1323 N ASN A 83 24.230 40.093 36.929 1.00 0.00 N ATOM 1324 CA ASN A 83 22.840 40.521 36.686 1.00 0.00 C ATOM 1325 C ASN A 83 22.398 41.849 37.363 1.00 0.00 C ATOM 1326 O ASN A 83 21.226 42.010 37.718 1.00 0.00 O ATOM 1327 CB ASN A 83 21.895 39.336 36.993 1.00 0.00 C ATOM 1328 CG ASN A 83 21.809 38.936 38.462 1.00 0.00 C ATOM 1329 OD1 ASN A 83 22.578 39.355 39.318 1.00 0.00 O ATOM 1330 ND2 ASN A 83 20.860 38.095 38.806 1.00 0.00 N ATOM 0 H ASN A 83 24.279 39.291 37.557 1.00 0.00 H new ATOM 0 HA ASN A 83 22.778 40.788 35.631 1.00 0.00 H new ATOM 0 HB2 ASN A 83 20.894 39.590 36.643 1.00 0.00 H new ATOM 0 HB3 ASN A 83 22.224 38.471 36.416 1.00 0.00 H new ATOM 0 HD21 ASN A 83 20.770 37.798 39.778 1.00 0.00 H new ATOM 0 HD22 ASN A 83 20.214 37.739 38.102 1.00 0.00 H new ATOM 1337 N ALA A 84 23.312 42.811 37.522 1.00 0.00 N ATOM 1338 CA ALA A 84 23.044 44.184 37.960 1.00 0.00 C ATOM 1339 C ALA A 84 24.019 45.167 37.281 1.00 0.00 C ATOM 1340 O ALA A 84 25.239 45.023 37.408 1.00 0.00 O ATOM 1341 CB ALA A 84 23.138 44.251 39.492 1.00 0.00 C ATOM 0 H ALA A 84 24.302 42.647 37.341 1.00 0.00 H new ATOM 0 HA ALA A 84 22.037 44.478 37.663 1.00 0.00 H new ATOM 0 HB1 ALA A 84 22.940 45.270 39.824 1.00 0.00 H new ATOM 0 HB2 ALA A 84 22.403 43.576 39.931 1.00 0.00 H new ATOM 0 HB3 ALA A 84 24.138 43.954 39.808 1.00 0.00 H new ATOM 1347 N ARG A 85 23.485 46.160 36.554 1.00 0.00 N ATOM 1348 CA ARG A 85 24.270 47.171 35.803 1.00 0.00 C ATOM 1349 C ARG A 85 23.531 48.500 35.545 1.00 0.00 C ATOM 1350 O ARG A 85 24.101 49.411 34.945 1.00 0.00 O ATOM 1351 CB ARG A 85 24.767 46.542 34.479 1.00 0.00 C ATOM 1352 CG ARG A 85 26.107 47.106 33.968 1.00 0.00 C ATOM 1353 CD ARG A 85 27.301 46.659 34.825 1.00 0.00 C ATOM 1354 NE ARG A 85 28.578 47.158 34.276 1.00 0.00 N ATOM 1355 CZ ARG A 85 29.139 48.335 34.493 1.00 0.00 C ATOM 1356 NH1 ARG A 85 28.586 49.247 35.245 1.00 0.00 N ATOM 1357 NH2 ARG A 85 30.284 48.628 33.947 1.00 0.00 N ATOM 0 H ARG A 85 22.477 46.292 36.465 1.00 0.00 H new ATOM 0 HA ARG A 85 25.113 47.448 36.437 1.00 0.00 H new ATOM 0 HB2 ARG A 85 24.870 45.466 34.619 1.00 0.00 H new ATOM 0 HB3 ARG A 85 24.007 46.693 33.712 1.00 0.00 H new ATOM 0 HG2 ARG A 85 26.263 46.785 32.938 1.00 0.00 H new ATOM 0 HG3 ARG A 85 26.059 48.195 33.958 1.00 0.00 H new ATOM 0 HD2 ARG A 85 27.175 47.023 35.845 1.00 0.00 H new ATOM 0 HD3 ARG A 85 27.326 45.570 34.876 1.00 0.00 H new ATOM 0 HE ARG A 85 29.084 46.522 33.660 1.00 0.00 H new ATOM 0 HH11 ARG A 85 27.687 49.064 35.691 1.00 0.00 H new ATOM 0 HH12 ARG A 85 29.053 50.143 35.387 1.00 0.00 H new ATOM 0 HH21 ARG A 85 30.753 47.948 33.348 1.00 0.00 H new ATOM 0 HH22 ARG A 85 30.713 49.538 34.118 1.00 0.00 H new ATOM 1371 N GLU A 86 22.265 48.612 35.943 1.00 0.00 N ATOM 1372 CA GLU A 86 21.432 49.829 35.879 1.00 0.00 C ATOM 1373 C GLU A 86 21.793 50.890 36.944 1.00 0.00 C ATOM 1374 O GLU A 86 21.577 52.091 36.668 1.00 0.00 O ATOM 1375 CB GLU A 86 19.939 49.437 35.933 1.00 0.00 C ATOM 1376 CG GLU A 86 19.463 48.663 37.179 1.00 0.00 C ATOM 1377 CD GLU A 86 19.545 47.125 37.015 1.00 0.00 C ATOM 1378 OE1 GLU A 86 20.671 46.565 36.952 1.00 0.00 O ATOM 1379 OE2 GLU A 86 18.482 46.459 36.964 1.00 0.00 O ATOM 1380 OXT GLU A 86 22.299 50.532 38.035 1.00 0.00 O ATOM 0 H GLU A 86 21.759 47.820 36.340 1.00 0.00 H new ATOM 0 HA GLU A 86 21.642 50.316 34.926 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.346 50.348 35.854 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.715 48.834 35.053 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.066 48.962 38.036 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.433 48.943 37.400 1.00 0.00 H new TER 1387 GLU A 86 ATOM 1388 O5' A B 101 23.090 23.467 41.691 1.00 0.00 O ATOM 1389 C5' A B 101 23.689 23.304 40.408 1.00 0.00 C ATOM 1390 C4' A B 101 24.788 24.341 40.101 1.00 0.00 C ATOM 1391 O4' A B 101 24.230 25.639 39.863 1.00 0.00 O ATOM 1392 C3' A B 101 25.839 24.466 41.224 1.00 0.00 C ATOM 1393 O3' A B 101 27.108 24.603 40.593 1.00 0.00 O ATOM 1394 C2' A B 101 25.335 25.743 41.927 1.00 0.00 C ATOM 1395 O2' A B 101 26.273 26.462 42.719 1.00 0.00 O ATOM 1396 C1' A B 101 24.913 26.549 40.711 1.00 0.00 C ATOM 1397 N9 A B 101 24.159 27.761 41.112 1.00 0.00 N ATOM 1398 C8 A B 101 24.690 29.014 41.307 1.00 0.00 C ATOM 1399 N7 A B 101 23.825 29.927 41.658 1.00 0.00 N ATOM 1400 C5 A B 101 22.611 29.221 41.659 1.00 0.00 C ATOM 1401 C6 A B 101 21.257 29.569 41.904 1.00 0.00 C ATOM 1402 N6 A B 101 20.818 30.784 42.179 1.00 0.00 N ATOM 1403 N1 A B 101 20.289 28.650 41.895 1.00 0.00 N ATOM 1404 C2 A B 101 20.639 27.397 41.632 1.00 0.00 C ATOM 1405 N3 A B 101 21.848 26.922 41.350 1.00 0.00 N ATOM 1406 C4 A B 101 22.808 27.894 41.368 1.00 0.00 C ATOM 0 H5' A B 101 22.915 23.371 39.644 1.00 0.00 H new ATOM 0 H5'' A B 101 24.117 22.304 40.341 1.00 0.00 H new ATOM 0 H4' A B 101 25.284 23.970 39.204 1.00 0.00 H new ATOM 0 H3' A B 101 25.953 23.639 41.925 1.00 0.00 H new ATOM 0 H2' A B 101 24.576 25.520 42.677 1.00 0.00 H new ATOM 0 HO2' A B 101 27.017 25.872 42.962 1.00 0.00 H new ATOM 0 HO5' A B 101 22.403 22.781 41.821 1.00 0.00 H new ATOM 0 H1' A B 101 25.751 26.966 40.153 1.00 0.00 H new ATOM 0 H8 A B 101 25.741 29.227 41.180 1.00 0.00 H new ATOM 0 H61 A B 101 19.824 30.942 42.342 1.00 0.00 H new ATOM 0 H62 A B 101 21.473 31.564 42.229 1.00 0.00 H new ATOM 0 H2 A B 101 19.840 26.671 41.649 1.00 0.00 H new ATOM 1419 P C B 102 28.494 24.410 41.380 1.00 0.00 P ATOM 1420 OP1 C B 102 28.939 23.007 41.197 1.00 0.00 O ATOM 1421 OP2 C B 102 28.355 24.938 42.758 1.00 0.00 O ATOM 1422 O5' C B 102 29.497 25.388 40.584 1.00 0.00 O ATOM 1423 C5' C B 102 29.069 26.665 40.131 1.00 0.00 C ATOM 1424 C4' C B 102 30.264 27.569 39.775 1.00 0.00 C ATOM 1425 O4' C B 102 29.814 28.762 39.133 1.00 0.00 O ATOM 1426 C3' C B 102 31.036 28.032 41.016 1.00 0.00 C ATOM 1427 O3' C B 102 32.375 28.392 40.678 1.00 0.00 O ATOM 1428 C2' C B 102 30.174 29.245 41.412 1.00 0.00 C ATOM 1429 O2' C B 102 30.848 30.156 42.274 1.00 0.00 O ATOM 1430 C1' C B 102 29.794 29.856 40.051 1.00 0.00 C ATOM 1431 N1 C B 102 28.464 30.568 40.039 1.00 0.00 N ATOM 1432 C2 C B 102 28.281 31.727 40.815 1.00 0.00 C ATOM 1433 O2 C B 102 29.156 32.157 41.563 1.00 0.00 O ATOM 1434 N3 C B 102 27.111 32.416 40.777 1.00 0.00 N ATOM 1435 C4 C B 102 26.151 31.994 39.984 1.00 0.00 C ATOM 1436 N4 C B 102 25.037 32.668 40.034 1.00 0.00 N ATOM 1437 C5 C B 102 26.285 30.865 39.137 1.00 0.00 C ATOM 1438 C6 C B 102 27.457 30.184 39.180 1.00 0.00 C ATOM 0 H5' C B 102 28.468 27.143 40.904 1.00 0.00 H new ATOM 0 H5'' C B 102 28.429 26.546 39.257 1.00 0.00 H new ATOM 0 H4' C B 102 30.905 26.968 39.130 1.00 0.00 H new ATOM 0 H3' C B 102 31.161 27.292 41.807 1.00 0.00 H new ATOM 0 H2' C B 102 29.303 28.969 42.006 1.00 0.00 H new ATOM 0 HO2' C B 102 30.405 31.029 42.238 1.00 0.00 H new ATOM 0 H1' C B 102 30.501 30.642 39.785 1.00 0.00 H new ATOM 0 H41 C B 102 24.250 32.396 39.445 1.00 0.00 H new ATOM 0 H42 C B 102 24.952 33.467 40.662 1.00 0.00 H new ATOM 0 H5 C B 102 25.483 30.559 38.482 1.00 0.00 H new ATOM 0 H6 C B 102 27.603 29.331 38.534 1.00 0.00 H new ATOM 1450 P A B 103 33.552 27.299 40.694 1.00 0.00 P ATOM 1451 OP1 A B 103 33.035 26.022 40.152 1.00 0.00 O ATOM 1452 OP2 A B 103 34.159 27.304 42.048 1.00 0.00 O ATOM 1453 O5' A B 103 34.631 27.849 39.633 1.00 0.00 O ATOM 1454 C5' A B 103 35.597 28.828 39.986 1.00 0.00 C ATOM 1455 C4' A B 103 36.354 29.298 38.733 1.00 0.00 C ATOM 1456 O4' A B 103 35.476 30.022 37.870 1.00 0.00 O ATOM 1457 C3' A B 103 37.517 30.258 39.050 1.00 0.00 C ATOM 1458 O3' A B 103 38.492 30.230 38.011 1.00 0.00 O ATOM 1459 C2' A B 103 36.779 31.599 39.110 1.00 0.00 C ATOM 1460 O2' A B 103 37.595 32.746 38.886 1.00 0.00 O ATOM 1461 C1' A B 103 35.724 31.417 38.013 1.00 0.00 C ATOM 1462 N9 A B 103 34.473 32.204 38.199 1.00 0.00 N ATOM 1463 C8 A B 103 33.826 32.926 37.228 1.00 0.00 C ATOM 1464 N7 A B 103 32.825 33.653 37.654 1.00 0.00 N ATOM 1465 C5 A B 103 32.768 33.335 39.016 1.00 0.00 C ATOM 1466 C6 A B 103 31.930 33.717 40.095 1.00 0.00 C ATOM 1467 N6 A B 103 30.914 34.554 40.014 1.00 0.00 N ATOM 1468 N1 A B 103 32.122 33.246 41.324 1.00 0.00 N ATOM 1469 C2 A B 103 33.111 32.386 41.504 1.00 0.00 C ATOM 1470 N3 A B 103 33.973 31.934 40.602 1.00 0.00 N ATOM 1471 C4 A B 103 33.752 32.442 39.357 1.00 0.00 C ATOM 0 H5' A B 103 36.298 28.414 40.710 1.00 0.00 H new ATOM 0 H5'' A B 103 35.108 29.676 40.465 1.00 0.00 H new ATOM 0 H4' A B 103 36.743 28.389 38.274 1.00 0.00 H new ATOM 0 H3' A B 103 38.076 30.023 39.956 1.00 0.00 H new ATOM 0 H2' A B 103 36.380 31.805 40.103 1.00 0.00 H new ATOM 0 HO2' A B 103 38.410 32.480 38.411 1.00 0.00 H new ATOM 0 H1' A B 103 36.130 31.832 37.090 1.00 0.00 H new ATOM 0 H8 A B 103 34.121 32.896 36.189 1.00 0.00 H new ATOM 0 H61 A B 103 30.365 34.771 40.845 1.00 0.00 H new ATOM 0 H62 A B 103 30.678 34.984 39.120 1.00 0.00 H new ATOM 0 H2 A B 103 33.232 32.005 42.507 1.00 0.00 H new ATOM 1483 P U B 104 39.506 29.002 37.867 1.00 0.00 P ATOM 1484 OP1 U B 104 38.922 28.068 36.877 1.00 0.00 O ATOM 1485 OP2 U B 104 39.825 28.512 39.224 1.00 0.00 O ATOM 1486 O5' U B 104 40.835 29.678 37.264 1.00 0.00 O ATOM 1487 C5' U B 104 40.846 30.380 36.027 1.00 0.00 C ATOM 1488 C4' U B 104 40.809 29.441 34.805 1.00 0.00 C ATOM 1489 O4' U B 104 39.577 29.572 34.112 1.00 0.00 O ATOM 1490 C3' U B 104 41.963 29.679 33.815 1.00 0.00 C ATOM 1491 O3' U B 104 42.792 28.525 33.778 1.00 0.00 O ATOM 1492 C2' U B 104 41.274 30.012 32.472 1.00 0.00 C ATOM 1493 O2' U B 104 41.421 28.999 31.480 1.00 0.00 O ATOM 1494 C1' U B 104 39.783 30.135 32.827 1.00 0.00 C ATOM 1495 N1 U B 104 39.146 31.491 32.770 1.00 0.00 N ATOM 1496 C2 U B 104 39.761 32.610 33.357 1.00 0.00 C ATOM 1497 O2 U B 104 40.923 32.641 33.755 1.00 0.00 O ATOM 1498 N3 U B 104 39.009 33.766 33.449 1.00 0.00 N ATOM 1499 C4 U B 104 37.718 33.929 33.006 1.00 0.00 C ATOM 1500 O4 U B 104 37.134 34.990 33.196 1.00 0.00 O ATOM 1501 C5 U B 104 37.169 32.766 32.354 1.00 0.00 C ATOM 1502 C6 U B 104 37.867 31.602 32.257 1.00 0.00 C ATOM 0 H5' U B 104 41.740 31.001 35.975 1.00 0.00 H new ATOM 0 H5'' U B 104 39.989 31.052 35.989 1.00 0.00 H new ATOM 0 H4' U B 104 40.920 28.433 35.204 1.00 0.00 H new ATOM 0 H3' U B 104 42.630 30.497 34.089 1.00 0.00 H new ATOM 0 H2' U B 104 41.720 30.909 32.044 1.00 0.00 H new ATOM 0 HO2' U B 104 41.254 29.382 30.594 1.00 0.00 H new ATOM 0 H1' U B 104 39.280 29.597 32.024 1.00 0.00 H new ATOM 0 H3 U B 104 39.453 34.573 33.886 1.00 0.00 H new ATOM 0 H5 U B 104 36.177 32.820 31.931 1.00 0.00 H new ATOM 0 H6 U B 104 37.414 30.750 31.771 1.00 0.00 H new ATOM 1513 P C B 105 44.384 28.651 33.669 1.00 0.00 P ATOM 1514 OP1 C B 105 44.727 29.607 32.587 1.00 0.00 O ATOM 1515 OP2 C B 105 44.960 27.284 33.632 1.00 0.00 O ATOM 1516 O5' C B 105 44.783 29.328 35.068 1.00 0.00 O ATOM 1517 C5' C B 105 44.416 28.737 36.306 1.00 0.00 C ATOM 1518 C4' C B 105 44.902 29.596 37.479 1.00 0.00 C ATOM 1519 O4' C B 105 44.435 30.936 37.401 1.00 0.00 O ATOM 1520 C3' C B 105 44.366 29.112 38.822 1.00 0.00 C ATOM 1521 O3' C B 105 44.997 27.924 39.284 1.00 0.00 O ATOM 1522 C2' C B 105 44.647 30.346 39.706 1.00 0.00 C ATOM 1523 O2' C B 105 45.952 30.337 40.284 1.00 0.00 O ATOM 1524 C1' C B 105 44.600 31.507 38.690 1.00 0.00 C ATOM 1525 N1 C B 105 43.516 32.497 38.959 1.00 0.00 N ATOM 1526 C2 C B 105 43.852 33.855 39.096 1.00 0.00 C ATOM 1527 O2 C B 105 45.011 34.254 38.969 1.00 0.00 O ATOM 1528 N3 C B 105 42.896 34.772 39.387 1.00 0.00 N ATOM 1529 C4 C B 105 41.651 34.365 39.525 1.00 0.00 C ATOM 1530 N4 C B 105 40.780 35.288 39.826 1.00 0.00 N ATOM 1531 C5 C B 105 41.248 33.010 39.386 1.00 0.00 C ATOM 1532 C6 C B 105 42.209 32.100 39.094 1.00 0.00 C ATOM 0 H5' C B 105 44.844 27.737 36.379 1.00 0.00 H new ATOM 0 H5'' C B 105 43.333 28.625 36.355 1.00 0.00 H new ATOM 0 H4' C B 105 45.988 29.525 37.413 1.00 0.00 H new ATOM 0 H3' C B 105 43.319 28.810 38.804 1.00 0.00 H new ATOM 0 H2' C B 105 43.942 30.400 40.536 1.00 0.00 H new ATOM 0 HO2' C B 105 46.357 29.452 40.164 1.00 0.00 H new ATOM 0 H1' C B 105 45.530 32.070 38.770 1.00 0.00 H new ATOM 0 H41 C B 105 39.798 35.042 39.948 1.00 0.00 H new ATOM 0 H42 C B 105 41.081 36.256 39.940 1.00 0.00 H new ATOM 0 H5 C B 105 40.216 32.716 39.508 1.00 0.00 H new ATOM 0 H6 C B 105 41.946 31.060 38.967 1.00 0.00 H new ATOM 1544 P A B 106 44.212 26.852 40.177 1.00 0.00 P ATOM 1545 OP1 A B 106 45.232 25.922 40.725 1.00 0.00 O ATOM 1546 OP2 A B 106 43.121 26.284 39.351 1.00 0.00 O ATOM 1547 O5' A B 106 43.573 27.646 41.432 1.00 0.00 O ATOM 1548 C5' A B 106 42.262 28.198 41.387 1.00 0.00 C ATOM 1549 C4' A B 106 41.889 28.858 42.721 1.00 0.00 C ATOM 1550 O4' A B 106 42.793 29.909 43.062 1.00 0.00 O ATOM 1551 C3' A B 106 40.475 29.474 42.694 1.00 0.00 C ATOM 1552 O3' A B 106 39.708 28.966 43.783 1.00 0.00 O ATOM 1553 C2' A B 106 40.750 30.974 42.882 1.00 0.00 C ATOM 1554 O2' A B 106 39.689 31.670 43.535 1.00 0.00 O ATOM 1555 C1' A B 106 42.033 30.914 43.709 1.00 0.00 C ATOM 1556 N9 A B 106 42.771 32.197 43.768 1.00 0.00 N ATOM 1557 C8 A B 106 43.241 32.972 42.734 1.00 0.00 C ATOM 1558 N7 A B 106 43.858 34.062 43.110 1.00 0.00 N ATOM 1559 C5 A B 106 43.784 34.001 44.513 1.00 0.00 C ATOM 1560 C6 A B 106 44.224 34.823 45.583 1.00 0.00 C ATOM 1561 N6 A B 106 44.884 35.961 45.453 1.00 0.00 N ATOM 1562 N1 A B 106 43.995 34.489 46.855 1.00 0.00 N ATOM 1563 C2 A B 106 43.342 33.361 47.091 1.00 0.00 C ATOM 1564 N3 A B 106 42.867 32.487 46.204 1.00 0.00 N ATOM 1565 C4 A B 106 43.122 32.869 44.919 1.00 0.00 C ATOM 0 H5' A B 106 41.543 27.413 41.153 1.00 0.00 H new ATOM 0 H5'' A B 106 42.202 28.934 40.585 1.00 0.00 H new ATOM 0 H4' A B 106 41.935 28.056 43.458 1.00 0.00 H new ATOM 0 H3' A B 106 39.915 29.252 41.786 1.00 0.00 H new ATOM 0 H2' A B 106 40.838 31.534 41.951 1.00 0.00 H new ATOM 0 HO2' A B 106 39.926 32.617 43.626 1.00 0.00 H new ATOM 0 HO3' A B 106 39.309 29.712 44.278 1.00 0.00 H new ATOM 0 H1' A B 106 41.820 30.700 44.756 1.00 0.00 H new ATOM 0 H8 A B 106 43.111 32.703 41.696 1.00 0.00 H new ATOM 0 H61 A B 106 45.161 36.487 46.282 1.00 0.00 H new ATOM 0 H62 A B 106 45.116 36.313 44.524 1.00 0.00 H new ATOM 0 H2 A B 106 43.174 33.120 48.130 1.00 0.00 H new TER 1578 A B 106